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

Systemtic Name: N-(4-azanylcyclohexyl)-3-benzamido-4-[4-(3-methylphenyl)carbonyl-1,4-diazepan-1-yl]benzamide Openeye Name: N-(4-aminocyclohexyl)-3-benzamido-4-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-benzamido-4-[4-[(3-methylphenyl)-oxomethyl]-1,4-diazepan-1-yl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-benzamido-4-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-3-benzamido-4-(4-m-toluoyl-1,4-diazepan-1-yl)benzamide Formula: C33H39N5O3 MolecularWeight: 553.69446

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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)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C33H39N5O3/c1-23-7-5-10-26(21-23)33(41)38-18-6-17-37(19-20-38)30-16-11-25(32(40)35-28-14-12-27(34)13-15-28)22-29(30)36-31(39)24-8-3-2-4-9-24/h2-5,7-11,16,21-22,27-28H,6,12-15,17-20,34H2,1H3,(H,35,40)(H,36,39)