N-(4-azanylcyclohexyl)-3-[(4-cyanophenyl)carbonylamino]-4-(4-pyridin-4-ylcarbonyl-1,4-diazepan-1-yl)benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-3-[(4-cyanophenyl)carbonylamino]-4-(4-pyridin-4-ylcarbonyl-1,4-diazepan-1-yl)benzamide Openeye Name: N-(4-aminocyclohexyl)-3-[(4-cyanobenzoyl)amino]-4-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-[[(4-cyanophenyl)-oxomethyl]amino]-4-[4-[oxo(pyridin-4-yl)methyl]-1,4-diazepan-1-yl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-[(4-cyanobenzoyl)amino]-4-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-3-[(4-cyanobenzoyl)amino]-4-(4-isonicotinoyl-1,4-diazepan-1-yl)benzamide Formula: C32H35N7O3 MolecularWeight: 565.6654

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=NC=C2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=NC=C2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C32H35N7O3/c33-21-22-2-4-23(5-3-22)30(40)37-28-20-25(31(41)36-27-9-7-26(34)8-10-27)6-11-29(28)38-16-1-17-39(19-18-38)32(42)24-12-14-35-15-13-24/h2-6,11-15,20,26-27H,1,7-10,16-19,34H2,(H,36,41)(H,37,40)