(1R,5S)-N-(2-chlorophenyl)-7-[4-(3-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide (Q27220627)

BRD-K39812290-001-01-5 (English)

11 October 2016

chemical formula

C₂₅H₂₄ClN₃O

1 reference

BRD-K39812290-001-01-5 (English)

11 October 2016

canonical SMILES

CC1=CC=CC(=C1)C2=CC=C(C=C2)C3C4CNCC3N4C(=O)NC5=CC=CC=C5Cl

1 reference

BRD-K39812290-001-01-5 (English)

11 October 2016

isomeric SMILES

CC1=CC=CC(=C1)C2=CC=C(C=C2)C3[C@H]4CNC[C@@H]3N4C(=O)NC5=CC=CC=C5Cl

1 reference

BRD-K39812290-001-01-5 (English)

InChI=1S/C25H24ClN3O/c1-16-5-4-6-19(13-16)17-9-11-18(12-10-17)24-22-14-27-15-23(24)29(22)25(30)28-21-8-3-2-7-20(21)26/h2-13,22-24,27H,14-15H2,1H3,(H,28,30)/t22-,23+,24?

11 October 2016

Identifiers

InChI

1 reference

BRD-K39812290-001-01-5 (English)

LORDUTPUSGMAQA-VSGJHWFKSA-N

11 October 2016

InChIKey

2 references

BRD-K39812290-001-01-5 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

BRD-K39812290-001-01-5 (English)

11 October 2016

ChEBI ID

127906

mapping relation type

2 references

(1R,5S)-N-(2-chlorophenyl)-7-[4-(3-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide (English)