2-azanyl-1-(4-ethylphenyl)-4-(3-methoxy-4-oxidanyl-phenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-1-(4-ethylphenyl)-4-(3-methoxy-4-oxidanyl-phenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-1-(4-ethylphenyl)-4-(4-hydroxy-3-methoxy-phenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-1-(4-ethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-1-(4-ethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-1-(4-ethylphenyl)-4-(4-hydroxy-3-methoxy-phenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CC(=C(C=C4)O)OC)C(=O)CC(C3)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CC(=C(C=C4)O)OC)C(=O)CC(C3)(C)C

InChI

InChI=1S/C27H29N3O3/c1-5-16-6-9-18(10-7-16)30-20-13-27(2,3)14-22(32)25(20)24(19(15-28)26(30)29)17-8-11-21(31)23(12-17)33-4/h6-12,24,31H,5,13-14,29H2,1-4H3