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

Systemtic Name: N-(4-azanylcyclohexyl)-4-[4-(3-methoxyphenyl)carbonyl-1,4-diazepan-1-yl]-3-(2-phenylethanoylamino)benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-3-[(2-phenylacetyl)amino]benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[(3-methoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]-3-[(1-oxo-2-phenylethyl)amino]benzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-3-[(2-phenylacetyl)amino]benzamide Traditional Name: N-(4-aminocyclohexyl)-4-(4-m-anisoyl-1,4-diazepan-1-yl)-3-[(2-phenylacetyl)amino]benzamide Formula: C34H41N5O4 MolecularWeight: 583.72044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C34H41N5O4/c1-43-29-10-5-9-26(22-29)34(42)39-18-6-17-38(19-20-39)31-16-11-25(33(41)36-28-14-12-27(35)13-15-28)23-30(31)37-32(40)21-24-7-3-2-4-8-24/h2-5,7-11,16,22-23,27-28H,6,12-15,17-21,35H2,1H3,(H,36,41)(H,37,40)