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

Systemtic Name: 2-azanyl-1-[2,3-bis(chloranyl)phenyl]-4-[3-[(2-chloranyl-4-fluoranyl-phenoxy)methyl]-2,5-dimethyl-phenyl]-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-(2,3-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-(2,3-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-(2,3-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-(2,3-dichlorophenyl)-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C31H25Cl3FN3O2 MolecularWeight: 596.906503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H25Cl3FN3O2/c1-16-11-18(15-40-27-10-9-19(35)13-23(27)33)17(2)20(12-16)28-21(14-36)31(37)38(24-6-4-8-26(39)29(24)28)25-7-3-5-22(32)30(25)34/h3,5,7,9-13,28H,4,6,8,15,37H2,1-2H3