cyclopropyl-[(1S)-1'-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanone (Q27220889)

BRD-K44242139-001-01-3 (English)

cyclopropyl-[(1R)-1'-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanone

11 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₄FN₃O₃

1 reference

BRD-K44242139-001-01-3 (English)

11 October 2016

canonical SMILES

CN1C2=C(C=CC(=C2)OC)C3=C1C(N(CC34CCN(CC4)CC5=CC(=CC=C5)F)C(=O)C6CC6)CO

1 reference

BRD-K44242139-001-01-3 (English)

11 October 2016

isomeric SMILES

CN1C2=C(C=CC(=C2)OC)C3=C1[C@H](N(CC34CCN(CC4)CC5=CC(=CC=C5)F)C(=O)C6CC6)CO

1 reference

BRD-K44242139-001-01-3 (English)

InChI=1S/C29H34FN3O3/c1-31-24-15-22(36-2)8-9-23(24)26-27(31)25(17-34)33(28(35)20-6-7-20)18-29(26)10-12-32(13-11-29)16-19-4-3-5-21(30)14-19/h3-5,8-9,14-15,20,25,34H,6-7,10-13,16-18H2,1-2H3/t25-/m1/s1

11 October 2016

Identifiers

InChI

1 reference

BRD-K44242139-001-01-3 (English)

JYNWHADBVHDRHI-RUZDIDTESA-N

11 October 2016

InChIKey

2 references

BRD-K44242139-001-01-3 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K44242139-001-01-3 (English)

matched by identifier from

11 October 2016

InChIKey

JYNWHADBVHDRHI-RUZDIDTESA-N

ChEBI ID

128153

mapping relation type

2 references

cyclopropyl-[(1S)-1'-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanone (English)