2-azanyl-4-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-7,7-dimethyl-1-(4-nitrophenyl)-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-7,7-dimethyl-1-(4-nitrophenyl)-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-5-keto-7,7-dimethyl-1-(4-nitrophenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C28H25ClN6O3 MolecularWeight: 528.9895

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC=C(C=C4)[N+](=O)[O-])N)C#N)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC=C(C=C4)[N+](=O)[O-])N)C#N)Cl)C5=CC=CC=C5

InChI

InChI=1S/C28H25ClN6O3/c1-16-23(26(29)34(32-16)18-7-5-4-6-8-18)24-20(15-30)27(31)33(17-9-11-19(12-10-17)35(37)38)21-13-28(2,3)14-22(36)25(21)24/h4-12,24H,13-14,31H2,1-3H3