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

Systemtic Name: N-(4-azanylcyclohexyl)-4-[4-(3-methylphenyl)carbonylpiperazin-1-yl]-3-(2-phenylethanoylamino)benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(3-methylbenzoyl)piperazin-1-yl]-3-[(2-phenylacetyl)amino]benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[(3-methylphenyl)-oxomethyl]-1-piperazinyl]-3-[(1-oxo-2-phenylethyl)amino]benzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(3-methylbenzoyl)piperazin-1-yl]-3-[(2-phenylacetyl)amino]benzamide Traditional Name: N-(4-aminocyclohexyl)-4-(4-m-toluoylpiperazino)-3-[(2-phenylacetyl)amino]benzamide Formula: C33H39N5O3 MolecularWeight: 553.69446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C33H39N5O3/c1-23-6-5-9-26(20-23)33(41)38-18-16-37(17-19-38)30-15-10-25(32(40)35-28-13-11-27(34)12-14-28)22-29(30)36-31(39)21-24-7-3-2-4-8-24/h2-10,15,20,22,27-28H,11-14,16-19,21,34H2,1H3,(H,35,40)(H,36,39)