N-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperidine-4-carboxamide

Systemtic Name: N-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperidine-4-carboxamide Openeye Name: N-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]-N-[(4-oxo-1H-quinazolin-2-yl)methyl]piperidine-4-carboxamide CAS Name: N-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-4-piperidinecarboxamide IUPAC Name: N-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]-N-[(4-oxo-1H-quinazolin-2-yl)methyl]piperidine-4-carboxamide Traditional Name: N-[(4-keto-1H-quinazolin-2-yl)methyl]-N-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotamide Formula: C23H22F3N5O4 MolecularWeight: 489.44709

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C23H22F3N5O4/c1-29(13-20-27-17-5-3-2-4-16(17)21(32)28-20)22(33)14-8-10-30(11-9-14)18-7-6-15(23(24,25)26)12-19(18)31(34)35/h2-7,12,14H,8-11,13H2,1H3,(H,27,28,32)