(1R,5S)-N-cyclohexyl-7-[4-(2-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide (Q27215357)

BRD-K11555344-019-01-0 (English)

11 October 2016

chemical formula

C₂₅H₃₁N₃O

1 reference

BRD-K11555344-019-01-0 (English)

11 October 2016

canonical SMILES

CC1=CC=CC=C1C2=CC=C(C=C2)C3C4CN(CC3N4)C(=O)NC5CCCCC5

1 reference

BRD-K11555344-019-01-0 (English)

11 October 2016

isomeric SMILES

CC1=CC=CC=C1C2=CC=C(C=C2)C3[C@H]4CN(C[C@@H]3N4)C(=O)NC5CCCCC5

1 reference

BRD-K11555344-019-01-0 (English)

InChI=1S/C25H31N3O/c1-17-7-5-6-10-21(17)18-11-13-19(14-12-18)24-22-15-28(16-23(24)27-22)25(29)26-20-8-3-2-4-9-20/h5-7,10-14,20,22-24,27H,2-4,8-9,15-16H2,1H3,(H,26,29)/t22-,23+,24?

11 October 2016

Identifiers

InChI

1 reference

BRD-K11555344-019-01-0 (English)

YCBKEELBFOOCQV-VSGJHWFKSA-N

11 October 2016

InChIKey

2 references

BRD-K11555344-019-01-0 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K11555344-019-01-0 (English)

matched by identifier from

11 October 2016

InChIKey

YCBKEELBFOOCQV-VSGJHWFKSA-N

ChEBI ID

125022

mapping relation type

2 references

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