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

Systemtic Name: N-(4-azanylcyclohexyl)-4-(4-cyclopentylcarbonylpiperazin-1-yl)-3-[(3-methylphenyl)carbonylamino]benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-[(3-methylbenzoyl)amino]benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[cyclopentyl(oxo)methyl]-1-piperazinyl]-3-[[(3-methylphenyl)-oxomethyl]amino]benzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-[(3-methylbenzoyl)amino]benzamide Traditional Name: N-(4-aminocyclohexyl)-4-[4-(cyclopentanecarbonyl)piperazino]-3-(m-toluoylamino)benzamide Formula: C31H41N5O3 MolecularWeight: 531.68894

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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)C5CCCC5

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)N)N4CCN(CC4)C(=O)C5CCCC5

InChI

InChI=1S/C31H41N5O3/c1-21-5-4-8-23(19-21)30(38)34-27-20-24(29(37)33-26-12-10-25(32)11-13-26)9-14-28(27)35-15-17-36(18-16-35)31(39)22-6-2-3-7-22/h4-5,8-9,14,19-20,22,25-26H,2-3,6-7,10-13,15-18,32H2,1H3,(H,33,37)(H,34,38)