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

Systemtic Name: 4-(3-methylpiperidin-1-yl)-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide Openeye Name: 4-(3-methyl-1-piperidyl)-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide IUPAC Name: 4-(3-methylpiperidin-1-yl)-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide Traditional Name: 4-(3-methylpiperidino)-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide Formula: C20H20F3N3O3 MolecularWeight: 407.38631

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H20F3N3O3/c1-13-3-2-10-25(12-13)17-9-4-14(11-18(17)26(28)29)19(27)24-16-7-5-15(6-8-16)20(21,22)23/h4-9,11,13H,2-3,10,12H2,1H3,(H,24,27)