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

Systemtic Name: 2-azanyl-4-[5-chloranyl-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-7,7-dimethyl-5-oxidanylidene-1-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-[5-chloro-3-methyl-1-(p-tolyl)pyrazol-4-yl]-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-[5-chloro-3-methyl-1-(4-methylphenyl)-4-pyrazolyl]-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-[5-chloro-3-methyl-1-(p-tolyl)pyrazol-4-yl]-5-keto-7,7-dimethyl-1-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C29H28ClN5O MolecularWeight: 498.01852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)C3C(=C(N(C4=C3C(=O)CC(C4)(C)C)C5=CC=CC=C5)N)C#N)Cl

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)C3C(=C(N(C4=C3C(=O)CC(C4)(C)C)C5=CC=CC=C5)N)C#N)Cl

InChI

InChI=1S/C29H28ClN5O/c1-17-10-12-20(13-11-17)35-27(30)24(18(2)33-35)25-21(16-31)28(32)34(19-8-6-5-7-9-19)22-14-29(3,4)15-23(36)26(22)25/h5-13,25H,14-15,32H2,1-4H3