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

Systemtic Name: 3-acetamido-N-(4-azanylcyclohexyl)-4-[4-(3-methylphenyl)carbonyl-1,4-diazepan-1-yl]benzamide Openeye Name: 3-acetamido-N-(4-aminocyclohexyl)-4-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]benzamide CAS Name: 3-acetamido-N-(4-aminocyclohexyl)-4-[4-[(3-methylphenyl)-oxomethyl]-1,4-diazepan-1-yl]benzamide IUPAC Name: 3-acetamido-N-(4-aminocyclohexyl)-4-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]benzamide Traditional Name: 3-acetamido-N-(4-aminocyclohexyl)-4-(4-m-toluoyl-1,4-diazepan-1-yl)benzamide Formula: C28H37N5O3 MolecularWeight: 491.62508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C

InChI

InChI=1S/C28H37N5O3/c1-19-5-3-6-22(17-19)28(36)33-14-4-13-32(15-16-33)26-12-7-21(18-25(26)30-20(2)34)27(35)31-24-10-8-23(29)9-11-24/h3,5-7,12,17-18,23-24H,4,8-11,13-16,29H2,1-2H3,(H,30,34)(H,31,35)