2-azanyl-4-(1,3-dimethylpyrazol-4-yl)-1-(4-fluoranyl-3-nitro-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-(1,3-dimethylpyrazol-4-yl)-1-(4-fluoranyl-3-nitro-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(1,3-dimethylpyrazol-4-yl)-1-(4-fluoro-3-nitro-phenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(1,3-dimethyl-4-pyrazolyl)-1-(4-fluoro-3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(1,3-dimethylpyrazol-4-yl)-1-(4-fluoro-3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-(1,3-dimethylpyrazol-4-yl)-1-(4-fluoro-3-nitro-phenyl)-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C21H19FN6O3 MolecularWeight: 422.412363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C2C(=C(N(C3=C2C(=O)CCC3)C4=CC(=C(C=C4)F)[N+](=O)[O-])N)C#N)C

Isomeric SMILES

CC1=NN(C=C1C2C(=C(N(C3=C2C(=O)CCC3)C4=CC(=C(C=C4)F)[N+](=O)[O-])N)C#N)C

InChI

InChI=1S/C21H19FN6O3/c1-11-14(10-26(2)25-11)19-13(9-23)21(24)27(16-4-3-5-18(29)20(16)19)12-6-7-15(22)17(8-12)28(30)31/h6-8,10,19H,3-5,24H2,1-2H3