(4S)-2-azanyl-4-(1-methylpyrazol-4-yl)-1-(4-nitrophenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: (4S)-2-azanyl-4-(1-methylpyrazol-4-yl)-1-(4-nitrophenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: (4S)-2-amino-4-(1-methylpyrazol-4-yl)-1-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: (4S)-2-amino-4-(1-methyl-4-pyrazolyl)-1-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: (4S)-2-amino-4-(1-methylpyrazol-4-yl)-1-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: (4S)-2-amino-5-keto-4-(1-methylpyrazol-4-yl)-1-(4-nitrophenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C20H18N6O3 MolecularWeight: 390.39532

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=C(C=C4)[N+](=O)[O-])N)C#N

Isomeric SMILES

CN1C=C(C=N1)[C@H]2C(=C(N(C3=C2C(=O)CCC3)C4=CC=C(C=C4)[N+](=O)[O-])N)C#N

InChI

InChI=1S/C20H18N6O3/c1-24-11-12(10-23-24)18-15(9-21)20(22)25(16-3-2-4-17(27)19(16)18)13-5-7-14(8-6-13)26(28)29/h5-8,10-11,18H,2-4,22H2,1H3/t18-/m0/s1