N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C21H19F6N3O3 MolecularWeight: 475.384279

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H19F6N3O3/c1-12-4-6-29(7-5-12)17-3-2-13(8-18(17)30(32)33)19(31)28-16-10-14(20(22,23)24)9-15(11-16)21(25,26)27/h2-3,8-12H,4-7H2,1H3,(H,28,31)