4-(4-ethanoylpiperazin-1-yl)-N-(4-methylcyclohexyl)-3-nitro-benzamide

Systemtic Name: 4-(4-ethanoylpiperazin-1-yl)-N-(4-methylcyclohexyl)-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-(4-methylcyclohexyl)-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-(4-methylcyclohexyl)-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-(4-methylcyclohexyl)-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-(4-methylcyclohexyl)-3-nitro-benzamide Formula: C20H28N4O4 MolecularWeight: 388.46072

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCC(CC1)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H28N4O4/c1-14-3-6-17(7-4-14)21-20(26)16-5-8-18(19(13-16)24(27)28)23-11-9-22(10-12-23)15(2)25/h5,8,13-14,17H,3-4,6-7,9-12H2,1-2H3,(H,21,26)