4-(4-methylpiperazin-1-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-nitro-benzamide

Systemtic Name: 4-(4-methylpiperazin-1-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-nitro-benzamide Openeye Name: 4-(4-methylpiperazin-1-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-nitro-benzamide CAS Name: 4-(4-methyl-1-piperazinyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-(4-methylpiperazin-1-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-nitrobenzamide Traditional Name: 4-(4-methylpiperazino)-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-nitro-benzamide Formula: C20H21F3N4O3 MolecularWeight: 422.40095

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C20H21F3N4O3/c1-13-3-5-15(12-16(13)20(21,22)23)24-19(28)14-4-6-17(18(11-14)27(29)30)26-9-7-25(2)8-10-26/h3-6,11-12H,7-10H2,1-2H3,(H,24,28)