N-(4-azanylcyclohexyl)-3-[(4-cyanophenyl)carbonylamino]-4-(4-pyridin-4-ylcarbonylpiperazin-1-yl)benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-3-[(4-cyanophenyl)carbonylamino]-4-(4-pyridin-4-ylcarbonylpiperazin-1-yl)benzamide Openeye Name: N-(4-aminocyclohexyl)-3-[(4-cyanobenzoyl)amino]-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-[[(4-cyanophenyl)-oxomethyl]amino]-4-[4-[oxo(pyridin-4-yl)methyl]-1-piperazinyl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-[(4-cyanobenzoyl)amino]-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-3-[(4-cyanobenzoyl)amino]-4-(4-isonicotinoylpiperazino)benzamide Formula: C31H33N7O3 MolecularWeight: 551.63882

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=NC=C4)NC(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CC(CCC1N)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=NC=C4)NC(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C31H33N7O3/c32-20-21-1-3-22(4-2-21)29(39)36-27-19-24(30(40)35-26-8-6-25(33)7-9-26)5-10-28(27)37-15-17-38(18-16-37)31(41)23-11-13-34-14-12-23/h1-5,10-14,19,25-26H,6-9,15-18,33H2,(H,35,40)(H,36,39)