2-azanyl-1-(3-chloranyl-2-methyl-phenyl)-4-(2,5-diethoxyphenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-1-(3-chloranyl-2-methyl-phenyl)-4-(2,5-diethoxyphenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-1-(3-chloro-2-methyl-phenyl)-4-(2,5-diethoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-1-(3-chloro-2-methylphenyl)-4-(2,5-diethoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-1-(3-chloro-2-methylphenyl)-4-(2,5-diethoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-1-(3-chloro-2-methyl-phenyl)-4-(2,5-diethoxyphenyl)-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C27H28ClN3O3 MolecularWeight: 477.98252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C(=CC=C4)Cl)C)N)C#N

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C(=CC=C4)Cl)C)N)C#N

InChI

InChI=1S/C27H28ClN3O3/c1-4-33-17-12-13-24(34-5-2)18(14-17)25-19(15-29)27(30)31(21-9-6-8-20(28)16(21)3)22-10-7-11-23(32)26(22)25/h6,8-9,12-14,25H,4-5,7,10-11,30H2,1-3H3