N-(4-azanylcyclohexyl)-4-[4-(4-cyanophenyl)carbonyl-1,4-diazepan-1-yl]-3-(2-phenylethanoylamino)benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-[4-(4-cyanophenyl)carbonyl-1,4-diazepan-1-yl]-3-(2-phenylethanoylamino)benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(4-cyanobenzoyl)-1,4-diazepan-1-yl]-3-[(2-phenylacetyl)amino]benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[(4-cyanophenyl)-oxomethyl]-1,4-diazepan-1-yl]-3-[(1-oxo-2-phenylethyl)amino]benzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(4-cyanobenzoyl)-1,4-diazepan-1-yl]-3-[(2-phenylacetyl)amino]benzamide Traditional Name: N-(4-aminocyclohexyl)-4-[4-(4-cyanobenzoyl)-1,4-diazepan-1-yl]-3-[(2-phenylacetyl)amino]benzamide Formula: C34H38N6O3 MolecularWeight: 578.70392

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)C#N)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)C#N)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)CC5=CC=CC=C5

InChI

InChI=1S/C34H38N6O3/c35-23-25-7-9-26(10-8-25)34(43)40-18-4-17-39(19-20-40)31-16-11-27(33(42)37-29-14-12-28(36)13-15-29)22-30(31)38-32(41)21-24-5-2-1-3-6-24/h1-3,5-11,16,22,28-29H,4,12-15,17-21,36H2,(H,37,42)(H,38,41)