4-[4-[(1S,5R)-3-[cyclohexyl(oxo)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile (Q27215410)

BRD-K37291743-019-01-9 (English)

11 October 2016

chemical formula

C₂₅H₂₇N₃O

1 reference

BRD-K37291743-019-01-9 (English)

11 October 2016

canonical SMILES

C1CCC(CC1)C(=O)N2CC3C(C(C2)N3)C4=CC=C(C=C4)C5=CC=C(C=C5)C#N

1 reference

BRD-K37291743-019-01-9 (English)

11 October 2016

isomeric SMILES

C1CCC(CC1)C(=O)N2C[C@@H]3C([C@H](C2)N3)C4=CC=C(C=C4)C5=CC=C(C=C5)C#N

1 reference

BRD-K37291743-019-01-9 (English)

InChI=1S/C25H27N3O/c26-14-17-6-8-18(9-7-17)19-10-12-20(13-11-19)24-22-15-28(16-23(24)27-22)25(29)21-4-2-1-3-5-21/h6-13,21-24,27H,1-5,15-16H2/t22-,23+,24?

11 October 2016

Identifiers

InChI

1 reference

BRD-K37291743-019-01-9 (English)

RCPMJKRXHVWLMI-VSGJHWFKSA-N

11 October 2016

InChIKey

2 references

BRD-K37291743-019-01-9 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K37291743-019-01-9 (English)

matched by identifier from

11 October 2016

InChIKey

RCPMJKRXHVWLMI-VSGJHWFKSA-N

ChEBI ID

125072

mapping relation type

2 references

4-[4-[(1S,5R)-3-[cyclohexyl(oxo)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile (English)