(4-azanylquinazolin-2-yl)methyl 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate Openeye Name: (4-aminoquinazolin-2-yl)methyl 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate CAS Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxylic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate Traditional Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C22H20F3N5O4 MolecularWeight: 475.42051

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=NC3=CC=CC=C3C(=N2)N)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=NC3=CC=CC=C3C(=N2)N)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C22H20F3N5O4/c23-22(24,25)14-5-6-17(18(11-14)30(32)33)29-9-7-13(8-10-29)21(31)34-12-19-27-16-4-2-1-3-15(16)20(26)28-19/h1-6,11,13H,7-10,12H2,(H2,26,27,28)