(1R)-N1'-(3,5-dimethyl-4-isoxazolyl)-N2-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1',2-dicarboxamide (Q27216735)

BRD-K04418684-001-01-6 (English)

(1S)-N1'-(3,5-dimethyl-4-isoxazolyl)-N2-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1',2-dicarboxamide

11 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₁H₃₅FN₆O₅

1 reference

BRD-K04418684-001-01-6 (English)

11 October 2016

canonical SMILES

CC1=C(C(=NO1)C)NC(=O)N2CCC3(CC2)CN(C(C4=C3C5=C(N4C)C=C(C=C5)OC)CO)C(=O)NC6=CC=C(C=C6)F

1 reference

BRD-K04418684-001-01-6 (English)

11 October 2016

isomeric SMILES

CC1=C(C(=NO1)C)NC(=O)N2CCC3(CC2)CN([C@H](C4=C3C5=C(N4C)C=C(C=C5)OC)CO)C(=O)NC6=CC=C(C=C6)F

1 reference

BRD-K04418684-001-01-6 (English)

InChI=1S/C31H35FN6O5/c1-18-27(19(2)43-35-18)34-29(40)37-13-11-31(12-14-37)17-38(30(41)33-21-7-5-20(32)6-8-21)25(16-39)28-26(31)23-10-9-22(42-4)15-24(23)36(28)3/h5-10,15,25,39H,11-14,16-17H2,1-4H3,(H,33,41)(H,34,40)/t25-/m0/s1

11 October 2016

Identifiers

InChI

1 reference

BRD-K04418684-001-01-6 (English)

UJHMBSRJMYXUMX-VWLOTQADSA-N

11 October 2016

InChIKey

2 references

BRD-K04418684-001-01-6 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K04418684-001-01-6 (English)

matched by identifier from

11 October 2016

InChIKey

UJHMBSRJMYXUMX-VWLOTQADSA-N

ChEBI ID

125948

mapping relation type

2 references

(1R)-N1'-(3,5-dimethyl-4-isoxazolyl)-N2-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1',2-dicarboxamide (English)