N-(4-azanylcyclohexyl)-3-[(3-methylphenyl)carbonylamino]-4-[4-(2-phenylethanoyl)piperazin-1-yl]benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)N)N4CCN(CC4)C(=O)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)N)N4CCN(CC4)C(=O)CC5=CC=CC=C5

InChI

InChI=1S/C33H39N5O3/c1-23-6-5-9-25(20-23)33(41)36-29-22-26(32(40)35-28-13-11-27(34)12-14-28)10-15-30(29)37-16-18-38(19-17-37)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,36,41)