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

Systemtic Name: 2-azanyl-1-(3-chloranyl-2-methyl-phenyl)-7,7-dimethyl-5-oxidanylidene-4-(4-prop-2-enoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 4-(4-allyloxyphenyl)-2-amino-1-(3-chloro-2-methyl-phenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-4-(4-prop-2-enoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-4-(4-prop-2-enoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 4-(4-allyloxyphenyl)-2-amino-1-(3-chloro-2-methyl-phenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C28H28ClN3O2 MolecularWeight: 473.99382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C3=C(C(C(=C2N)C#N)C4=CC=C(C=C4)OCC=C)C(=O)CC(C3)(C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C3=C(C(C(=C2N)C#N)C4=CC=C(C=C4)OCC=C)C(=O)CC(C3)(C)C

InChI

InChI=1S/C28H28ClN3O2/c1-5-13-34-19-11-9-18(10-12-19)25-20(16-30)27(31)32(22-8-6-7-21(29)17(22)2)23-14-28(3,4)15-24(33)26(23)25/h5-12,25H,1,13-15,31H2,2-4H3