(Q27220801)

BRD-K42943439-001-01-5 (English)

(1R)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(phenylmethyl)-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide

11 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₂₉FN₄O₃

1 reference

BRD-K42943439-001-01-5 (English)

11 October 2016

canonical SMILES

COC1=CC2=C(C=C1)C3=C(N2)C(N(CC34CN(C4)C(=O)NC5=CC(=CC=C5)F)CC6=CC=CC=C6)CO

1 reference

BRD-K42943439-001-01-5 (English)

11 October 2016

isomeric SMILES

COC1=CC2=C(C=C1)C3=C(N2)[C@H](N(CC34CN(C4)C(=O)NC5=CC(=CC=C5)F)CC6=CC=CC=C6)CO

1 reference

BRD-K42943439-001-01-5 (English)

InChI=1S/C29H29FN4O3/c1-37-22-10-11-23-24(13-22)32-27-25(15-35)33(14-19-6-3-2-4-7-19)16-29(26(23)27)17-34(18-29)28(36)31-21-9-5-8-20(30)12-21/h2-13,25,32,35H,14-18H2,1H3,(H,31,36)/t25-/m1/s1

11 October 2016

Identifiers

InChI

1 reference

BRD-K42943439-001-01-5 (English)

UAWCDJXFBGAITD-RUZDIDTESA-N

11 October 2016

InChIKey

2 references

BRD-K42943439-001-01-5 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K42943439-001-01-5 (English)

matched by identifier from

11 October 2016

InChIKey

UAWCDJXFBGAITD-RUZDIDTESA-N

ChEBI ID

128073

mapping relation type

2 references

(1S)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(phenylmethyl)-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide (English)