N-(4-azanylcyclohexyl)-4-(4-cyclopentylcarbonyl-1,4-diazepan-1-yl)-3-[(3-methylphenyl)carbonylamino]benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-(4-cyclopentylcarbonyl-1,4-diazepan-1-yl)-3-[(3-methylphenyl)carbonylamino]benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-3-[(3-methylbenzoyl)amino]benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[cyclopentyl(oxo)methyl]-1,4-diazepan-1-yl]-3-[[(3-methylphenyl)-oxomethyl]amino]benzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-3-[(3-methylbenzoyl)amino]benzamide Traditional Name: N-(4-aminocyclohexyl)-4-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-3-(m-toluoylamino)benzamide Formula: C32H43N5O3 MolecularWeight: 545.71552

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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)N4CCCN(CC4)C(=O)C5CCCC5

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)N)N4CCCN(CC4)C(=O)C5CCCC5

InChI

InChI=1S/C32H43N5O3/c1-22-6-4-9-24(20-22)31(39)35-28-21-25(30(38)34-27-13-11-26(33)12-14-27)10-15-29(28)36-16-5-17-37(19-18-36)32(40)23-7-2-3-8-23/h4,6,9-10,15,20-21,23,26-27H,2-3,5,7-8,11-14,16-19,33H2,1H3,(H,34,38)(H,35,39)