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

Systemtic Name: 2-azanyl-1-(3-chloranyl-4-methyl-phenyl)-4-(2,5-dimethylphenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-1-(3-chloro-4-methyl-phenyl)-4-(2,5-dimethylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-1-(3-chloro-4-methylphenyl)-4-(2,5-dimethylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-1-(3-chloro-4-methylphenyl)-4-(2,5-dimethylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-1-(3-chloro-4-methyl-phenyl)-4-(2,5-dimethylphenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C27H28ClN3O MolecularWeight: 445.98372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC(=C(C=C4)C)Cl)N)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC(=C(C=C4)C)Cl)N)C#N

InChI

InChI=1S/C27H28ClN3O/c1-15-6-7-16(2)19(10-15)24-20(14-29)26(30)31(18-9-8-17(3)21(28)11-18)22-12-27(4,5)13-23(32)25(22)24/h6-11,24H,12-13,30H2,1-5H3