2-azanyl-1-(2-chloranylpyridin-3-yl)-4-(2,5-diethoxyphenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-1-(2-chloranylpyridin-3-yl)-4-(2,5-diethoxyphenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-1-(2-chloro-3-pyridyl)-4-(2,5-diethoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-1-(2-chloro-3-pyridinyl)-4-(2,5-diethoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-1-(2-chloropyridin-3-yl)-4-(2,5-diethoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-1-(2-chloro-3-pyridyl)-4-(2,5-diethoxyphenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C27H29ClN4O3 MolecularWeight: 492.99716

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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=C(N=CC=C4)Cl)N)C#N

Isomeric SMILES

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

InChI

InChI=1S/C27H29ClN4O3/c1-5-34-16-9-10-22(35-6-2)17(12-16)23-18(15-29)26(30)32(19-8-7-11-31-25(19)28)20-13-27(3,4)14-21(33)24(20)23/h7-12,23H,5-6,13-14,30H2,1-4H3