(1S)-2-(cyclopentylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-N-phenyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide (Q27223903)

BRD-K81408913-001-01-6 (English)

(1R)-2-(cyclopentylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-N-phenyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide

12 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₆N₄O₃

1 reference

BRD-K81408913-001-01-6 (English)

12 October 2016

canonical SMILES

CN1C2=C(C=CC(=C2)OC)C3=C1C(N(CC34CN(C4)C(=O)NC5=CC=CC=C5)CC6CCCC6)CO

1 reference

BRD-K81408913-001-01-6 (English)

12 October 2016

isomeric SMILES

CN1C2=C(C=CC(=C2)OC)C3=C1[C@H](N(CC34CN(C4)C(=O)NC5=CC=CC=C5)CC6CCCC6)CO

1 reference

BRD-K81408913-001-01-6 (English)

InChI=1S/C29H36N4O3/c1-31-24-14-22(36-2)12-13-23(24)26-27(31)25(16-34)32(15-20-8-6-7-9-20)17-29(26)18-33(19-29)28(35)30-21-10-4-3-5-11-21/h3-5,10-14,20,25,34H,6-9,15-19H2,1-2H3,(H,30,35)/t25-/m1/s1

12 October 2016

Identifiers

InChI

1 reference

BRD-K81408913-001-01-6 (English)

KBIWILBYYQSWIL-RUZDIDTESA-N

12 October 2016

InChIKey

2 references

BRD-K81408913-001-01-6 (English)

12 October 2016

stated in

ChEBI release 2020-09-01

1 reference

BRD-K81408913-001-01-6 (English)

12 October 2016

ChEBI ID

130166

mapping relation type

1 reference