(1R,5S)-7-[4-(3-cyanophenyl)phenyl]-N-(3-fluorophenyl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide (Q27221540)

BRD-K50281141-001-01-8 (English)

11 October 2016

chemical formula

C₂₅H₂₁FN₄O

1 reference

BRD-K50281141-001-01-8 (English)

11 October 2016

canonical SMILES

C1C2C(C(N2C(=O)NC3=CC(=CC=C3)F)CN1)C4=CC=C(C=C4)C5=CC=CC(=C5)C#N

1 reference

BRD-K50281141-001-01-8 (English)

11 October 2016

isomeric SMILES

C1[C@@H]2C([C@@H](N2C(=O)NC3=CC(=CC=C3)F)CN1)C4=CC=C(C=C4)C5=CC=CC(=C5)C#N

1 reference

BRD-K50281141-001-01-8 (English)

InChI=1S/C25H21FN4O/c26-20-5-2-6-21(12-20)29-25(31)30-22-14-28-15-23(30)24(22)18-9-7-17(8-10-18)19-4-1-3-16(11-19)13-27/h1-12,22-24,28H,14-15H2,(H,29,31)/t22-,23+,24?

11 October 2016

Identifiers

InChI

1 reference

BRD-K50281141-001-01-8 (English)

ZMTUURPSCGUFNJ-VSGJHWFKSA-N

11 October 2016

InChIKey

2 references

BRD-K50281141-001-01-8 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K50281141-001-01-8 (English)

matched by identifier from

11 October 2016

InChIKey

ZMTUURPSCGUFNJ-VSGJHWFKSA-N

ChEBI ID

128504

mapping relation type

2 references

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