N-(2-azanylcyclohexyl)-4-[(4-ethanoylpiperazin-1-yl)methyl]-3-[(4-methylphenyl)carbonylamino]benzamide

Systemtic Name: N-(2-azanylcyclohexyl)-4-[(4-ethanoylpiperazin-1-yl)methyl]-3-[(4-methylphenyl)carbonylamino]benzamide Openeye Name: 4-[(4-acetylpiperazin-1-yl)methyl]-N-(2-aminocyclohexyl)-3-[(4-methylbenzoyl)amino]benzamide CAS Name: 4-[(4-acetyl-1-piperazinyl)methyl]-N-(2-aminocyclohexyl)-3-[[(4-methylphenyl)-oxomethyl]amino]benzamide IUPAC Name: 4-[(4-acetylpiperazin-1-yl)methyl]-N-(2-aminocyclohexyl)-3-[(4-methylbenzoyl)amino]benzamide Traditional Name: 4-[(4-acetylpiperazino)methyl]-N-(2-aminocyclohexyl)-3-(p-toluoylamino)benzamide Formula: C28H37N5O3 MolecularWeight: 491.62508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3CCCCC3N)CN4CCN(CC4)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3CCCCC3N)CN4CCN(CC4)C(=O)C

InChI

InChI=1S/C28H37N5O3/c1-19-7-9-21(10-8-19)27(35)31-26-17-22(28(36)30-25-6-4-3-5-24(25)29)11-12-23(26)18-32-13-15-33(16-14-32)20(2)34/h7-12,17,24-25H,3-6,13-16,18,29H2,1-2H3,(H,30,36)(H,31,35)