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

Systemtic Name: 3-azanyl-N-(4-azanylcyclohexyl)-4-[4-(3-methylphenyl)carbonylpiperazin-1-yl]benzamide Openeye Name: 3-amino-N-(4-aminocyclohexyl)-4-[4-(3-methylbenzoyl)piperazin-1-yl]benzamide CAS Name: 3-amino-N-(4-aminocyclohexyl)-4-[4-[(3-methylphenyl)-oxomethyl]-1-piperazinyl]benzamide IUPAC Name: 3-amino-N-(4-aminocyclohexyl)-4-[4-(3-methylbenzoyl)piperazin-1-yl]benzamide Traditional Name: 3-amino-N-(4-aminocyclohexyl)-4-(4-m-toluoylpiperazino)benzamide Formula: C25H33N5O2 MolecularWeight: 435.56182

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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)N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)N

InChI

InChI=1S/C25H33N5O2/c1-17-3-2-4-19(15-17)25(32)30-13-11-29(12-14-30)23-10-5-18(16-22(23)27)24(31)28-21-8-6-20(26)7-9-21/h2-5,10,15-16,20-21H,6-9,11-14,26-27H2,1H3,(H,28,31)