N-(4-azanylcyclohexyl)-4-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]-3-[(3-methylphenyl)carbonylamino]benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]-3-[(3-methylphenyl)carbonylamino]benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-[(3-methylbenzoyl)amino]benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[(3-methoxyphenyl)-oxomethyl]-1-piperazinyl]-3-[[(3-methylphenyl)-oxomethyl]amino]benzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-[(3-methylbenzoyl)amino]benzamide Traditional Name: N-(4-aminocyclohexyl)-4-(4-m-anisoylpiperazino)-3-(m-toluoylamino)benzamide Formula: C33H39N5O4 MolecularWeight: 569.69386

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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)C5=CC(=CC=C5)OC

Isomeric SMILES

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

InChI

InChI=1S/C33H39N5O4/c1-22-5-3-6-23(19-22)32(40)36-29-21-24(31(39)35-27-12-10-26(34)11-13-27)9-14-30(29)37-15-17-38(18-16-37)33(41)25-7-4-8-28(20-25)42-2/h3-9,14,19-21,26-27H,10-13,15-18,34H2,1-2H3,(H,35,39)(H,36,40)