3-acetamido-N-(4-azanylcyclohexyl)-4-[4-(3-chlorophenyl)carbonyl-1,4-diazepan-1-yl]benzamide

Systemtic Name: 3-acetamido-N-(4-azanylcyclohexyl)-4-[4-(3-chlorophenyl)carbonyl-1,4-diazepan-1-yl]benzamide Openeye Name: 3-acetamido-N-(4-aminocyclohexyl)-4-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]benzamide CAS Name: 3-acetamido-N-(4-aminocyclohexyl)-4-[4-[(3-chlorophenyl)-oxomethyl]-1,4-diazepan-1-yl]benzamide IUPAC Name: 3-acetamido-N-(4-aminocyclohexyl)-4-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]benzamide Traditional Name: 3-acetamido-N-(4-aminocyclohexyl)-4-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]benzamide Formula: C27H34ClN5O3 MolecularWeight: 512.04356

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)NC2CCC(CC2)N)N3CCCN(CC3)C(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)NC2CCC(CC2)N)N3CCCN(CC3)C(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C27H34ClN5O3/c1-18(34)30-24-17-19(26(35)31-23-9-7-22(29)8-10-23)6-11-25(24)32-12-3-13-33(15-14-32)27(36)20-4-2-5-21(28)16-20/h2,4-6,11,16-17,22-23H,3,7-10,12-15,29H2,1H3,(H,30,34)(H,31,35)