N-(4-azanylcyclohexyl)-4-[4-(4-cyanophenyl)carbonylpiperazin-1-yl]-3-(cyclopropylcarbonylamino)benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-[4-(4-cyanophenyl)carbonylpiperazin-1-yl]-3-(cyclopropylcarbonylamino)benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(4-cyanobenzoyl)piperazin-1-yl]-3-(cyclopropanecarbonylamino)benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[(4-cyanophenyl)-oxomethyl]-1-piperazinyl]-3-[[cyclopropyl(oxo)methyl]amino]benzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(4-cyanobenzoyl)piperazin-1-yl]-3-(cyclopropanecarbonylamino)benzamide Traditional Name: N-(4-aminocyclohexyl)-4-[4-(4-cyanobenzoyl)piperazino]-3-(cyclopropanecarbonylamino)benzamide Formula: C29H34N6O3 MolecularWeight: 514.61866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)N)N4CCN(CC4)C(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CC1C(=O)NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)N)N4CCN(CC4)C(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C29H34N6O3/c30-18-19-1-3-21(4-2-19)29(38)35-15-13-34(14-16-35)26-12-7-22(17-25(26)33-27(36)20-5-6-20)28(37)32-24-10-8-23(31)9-11-24/h1-4,7,12,17,20,23-24H,5-6,8-11,13-16,31H2,(H,32,37)(H,33,36)