2-azanyl-4-[3-[(2-chloranyl-4-fluoranyl-phenoxy)methyl]-2,5-dimethyl-phenyl]-1-(2,4-dichlorophenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-[3-[(2-chloranyl-4-fluoranyl-phenoxy)methyl]-2,5-dimethyl-phenyl]-1-(2,4-dichlorophenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-[3-[(2-chloro-4-fluoro-phenoxy)methyl]-2,5-dimethyl-phenyl]-1-(2,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-[3-[(2-chloro-4-fluorophenoxy)methyl]-2,5-dimethylphenyl]-1-(2,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-[3-[(2-chloro-4-fluorophenoxy)methyl]-2,5-dimethylphenyl]-1-(2,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-[3-[(2-chloro-4-fluoro-phenoxy)methyl]-2,5-dimethyl-phenyl]-1-(2,4-dichlorophenyl)-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C31H25Cl3FN3O2 MolecularWeight: 596.906503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C=C(C=C4)Cl)Cl)N)C#N)C)COC5=C(C=C(C=C5)F)Cl

Isomeric SMILES

CC1=CC(=C(C(=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C=C(C=C4)Cl)Cl)N)C#N)C)COC5=C(C=C(C=C5)F)Cl

InChI

InChI=1S/C31H25Cl3FN3O2/c1-16-10-18(15-40-28-9-7-20(35)13-24(28)34)17(2)21(11-16)29-22(14-36)31(37)38(25-8-6-19(32)12-23(25)33)26-4-3-5-27(39)30(26)29/h6-13,29H,3-5,15,37H2,1-2H3