(1R,5S)-N-(3-chlorophenyl)-7-[4-[3-[dimethylamino(oxo)methyl]phenyl]phenyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide (Q27217898)

BRD-K11677408-001-01-3 (English)

11 October 2016

chemical formula

C₂₇H₂₇ClN₄O₂

1 reference

BRD-K11677408-001-01-3 (English)

11 October 2016

canonical SMILES

CN(C)C(=O)C1=CC=CC(=C1)C2=CC=C(C=C2)C3C4CNCC3N4C(=O)NC5=CC(=CC=C5)Cl

1 reference

BRD-K11677408-001-01-3 (English)

11 October 2016

isomeric SMILES

CN(C)C(=O)C1=CC=CC(=C1)C2=CC=C(C=C2)C3[C@H]4CNC[C@@H]3N4C(=O)NC5=CC(=CC=C5)Cl

1 reference

BRD-K11677408-001-01-3 (English)

InChI=1S/C27H27ClN4O2/c1-31(2)26(33)20-6-3-5-19(13-20)17-9-11-18(12-10-17)25-23-15-29-16-24(25)32(23)27(34)30-22-8-4-7-21(28)14-22/h3-14,23-25,29H,15-16H2,1-2H3,(H,30,34)/t23-,24+,25?

11 October 2016

Identifiers

InChI

1 reference

BRD-K11677408-001-01-3 (English)

DFCQVAMCMOCMQZ-XMGLRAKGSA-N

11 October 2016

InChIKey

2 references

BRD-K11677408-001-01-3 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K11677408-001-01-3 (English)

matched by identifier from

11 October 2016

InChIKey

DFCQVAMCMOCMQZ-XMGLRAKGSA-N

ChEBI ID

126302

mapping relation type

2 references

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