2-azanyl-1-(3-chloranyl-4-fluoranyl-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-fluoranyl-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-fluoro-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-fluorophenyl)-4-(2,5-diethoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-1-(3-chloro-4-fluorophenyl)-4-(2,5-diethoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-1-(3-chloro-4-fluoro-phenyl)-4-(2,5-diethoxyphenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C28H29ClFN3O3 MolecularWeight: 509.999563

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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)F)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)F)Cl)N)C#N

InChI

InChI=1S/C28H29ClFN3O3/c1-5-35-17-8-10-24(36-6-2)18(12-17)25-19(15-31)27(32)33(16-7-9-21(30)20(29)11-16)22-13-28(3,4)14-23(34)26(22)25/h7-12,25H,5-6,13-14,32H2,1-4H3