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

Systemtic Name: N-(4-azanylcyclohexyl)-4-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]-3-(2-phenylethanoylamino)benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-[(2-phenylacetyl)amino]benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[(3-methoxyphenyl)-oxomethyl]-1-piperazinyl]-3-[(1-oxo-2-phenylethyl)amino]benzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-[(2-phenylacetyl)amino]benzamide Traditional Name: N-(4-aminocyclohexyl)-4-(4-m-anisoylpiperazino)-3-[(2-phenylacetyl)amino]benzamide Formula: C33H39N5O4 MolecularWeight: 569.69386

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C33H39N5O4/c1-42-28-9-5-8-25(21-28)33(41)38-18-16-37(17-19-38)30-15-10-24(32(40)35-27-13-11-26(34)12-14-27)22-29(30)36-31(39)20-23-6-3-2-4-7-23/h2-10,15,21-22,26-27H,11-14,16-20,34H2,1H3,(H,35,40)(H,36,39)