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

Systemtic Name: 2-azanyl-4-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-5-oxidanylidene-1-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-5-oxo-1-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-5-oxo-1-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-5-oxo-1-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-5-keto-1-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C26H22ClN5O MolecularWeight: 455.93878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22ClN5O/c1-16-22(25(27)32(30-16)18-11-6-3-7-12-18)23-19(15-28)26(29)31(17-9-4-2-5-10-17)20-13-8-14-21(33)24(20)23/h2-7,9-12,23H,8,13-14,29H2,1H3