N-(4-azanylcyclohexyl)-4-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]-3-(2-phenylethanoylamino)benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]-3-(2-phenylethanoylamino)benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-3-[(2-phenylacetyl)amino]benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]-3-[(1-oxo-2-phenylethyl)amino]benzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-3-[(2-phenylacetyl)amino]benzamide Traditional Name: N-(4-aminocyclohexyl)-3-[(2-phenylacetyl)amino]-4-(4-veratroylpiperazino)benzamide Formula: C34H41N5O5 MolecularWeight: 599.71984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)CC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)CC5=CC=CC=C5)OC

InChI

InChI=1S/C34H41N5O5/c1-43-30-15-9-25(22-31(30)44-2)34(42)39-18-16-38(17-19-39)29-14-8-24(33(41)36-27-12-10-26(35)11-13-27)21-28(29)37-32(40)20-23-6-4-3-5-7-23/h3-9,14-15,21-22,26-27H,10-13,16-20,35H2,1-2H3,(H,36,41)(H,37,40)