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

Systemtic Name: N-(4-azanylcyclohexyl)-4-[4-(3-methylphenyl)carbonyl-1,4-diazepan-1-yl]-3-(2-phenylethanoylamino)benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-3-[(2-phenylacetyl)amino]benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[(3-methylphenyl)-oxomethyl]-1,4-diazepan-1-yl]-3-[(1-oxo-2-phenylethyl)amino]benzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-3-[(2-phenylacetyl)amino]benzamide Traditional Name: N-(4-aminocyclohexyl)-4-(4-m-toluoyl-1,4-diazepan-1-yl)-3-[(2-phenylacetyl)amino]benzamide Formula: C34H41N5O3 MolecularWeight: 567.72104

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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)CC5=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)CC5=CC=CC=C5

InChI

InChI=1S/C34H41N5O3/c1-24-7-5-10-27(21-24)34(42)39-18-6-17-38(19-20-39)31-16-11-26(33(41)36-29-14-12-28(35)13-15-29)23-30(31)37-32(40)22-25-8-3-2-4-9-25/h2-5,7-11,16,21,23,28-29H,6,12-15,17-20,22,35H2,1H3,(H,36,41)(H,37,40)