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

Systemtic Name: N-(4-azanylcyclohexyl)-3-[(4-cyanophenyl)carbonylamino]-4-(4-cyclopentylcarbonyl-1,4-diazepan-1-yl)benzamide Openeye Name: N-(4-aminocyclohexyl)-3-[(4-cyanobenzoyl)amino]-4-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-[[(4-cyanophenyl)-oxomethyl]amino]-4-[4-[cyclopentyl(oxo)methyl]-1,4-diazepan-1-yl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-[(4-cyanobenzoyl)amino]-4-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-3-[(4-cyanobenzoyl)amino]-4-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]benzamide Formula: C32H40N6O3 MolecularWeight: 556.6984

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CCC(C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C32H40N6O3/c33-21-22-6-8-23(9-7-22)30(39)36-28-20-25(31(40)35-27-13-11-26(34)12-14-27)10-15-29(28)37-16-3-17-38(19-18-37)32(41)24-4-1-2-5-24/h6-10,15,20,24,26-27H,1-5,11-14,16-19,34H2,(H,35,40)(H,36,39)