2-azanyl-1-(3-chloranyl-4-methyl-phenyl)-4-(2,5-diethoxyphenyl)-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-diethoxyphenyl)-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-diethoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-1-(3-chloro-4-methylphenyl)-4-(2,5-diethoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-1-(3-chloro-4-methylphenyl)-4-(2,5-diethoxyphenyl)-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-diethoxyphenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C29H32ClN3O3 MolecularWeight: 506.03568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC(=C(C=C4)C)Cl)N)C#N

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC(=C(C=C4)C)Cl)N)C#N

InChI

InChI=1S/C29H32ClN3O3/c1-6-35-19-10-11-25(36-7-2)20(13-19)26-21(16-31)28(32)33(18-9-8-17(3)22(30)12-18)23-14-29(4,5)15-24(34)27(23)26/h8-13,26H,6-7,14-15,32H2,1-5H3