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

Systemtic Name: 2-azanyl-4-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-1-(4-nitrophenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-1-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-1-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-1-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-5-keto-1-(4-nitrophenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C26H21ClN6O3 MolecularWeight: 500.93634

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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)[N+](=O)[O-])N)C#N)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=C(C=C4)[N+](=O)[O-])N)C#N)Cl)C5=CC=CC=C5

InChI

InChI=1S/C26H21ClN6O3/c1-15-22(25(27)32(30-15)17-6-3-2-4-7-17)23-19(14-28)26(29)31(20-8-5-9-21(34)24(20)23)16-10-12-18(13-11-16)33(35)36/h2-4,6-7,10-13,23H,5,8-9,29H2,1H3