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

Systemtic Name: N-(4-azanylcyclohexyl)-3-[(4-cyanophenyl)carbonylamino]-4-(4-cyclohexylcarbonyl-1,4-diazepan-1-yl)benzamide Openeye Name: N-(4-aminocyclohexyl)-3-[(4-cyanobenzoyl)amino]-4-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-[[(4-cyanophenyl)-oxomethyl]amino]-4-[4-[cyclohexyl(oxo)methyl]-1,4-diazepan-1-yl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-[(4-cyanobenzoyl)amino]-4-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-3-[(4-cyanobenzoyl)amino]-4-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]benzamide Formula: C33H42N6O3 MolecularWeight: 570.72498

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)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(CC1)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/C33H42N6O3/c34-22-23-7-9-24(10-8-23)31(40)37-29-21-26(32(41)36-28-14-12-27(35)13-15-28)11-16-30(29)38-17-4-18-39(20-19-38)33(42)25-5-2-1-3-6-25/h7-11,16,21,25,27-28H,1-6,12-15,17-20,35H2,(H,36,41)(H,37,40)