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

Systemtic Name: 2-azanyl-1-(3-chloranyl-4-fluoranyl-phenyl)-4-[5-[(4-chloranylphenoxy)methyl]-2,4-dimethyl-phenyl]-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-1-(3-chloro-4-fluoro-phenyl)-4-[5-[(4-chlorophenoxy)methyl]-2,4-dimethyl-phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-1-(3-chloro-4-fluorophenyl)-4-[5-[(4-chlorophenoxy)methyl]-2,4-dimethylphenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-1-(3-chloro-4-fluorophenyl)-4-[5-[(4-chlorophenoxy)methyl]-2,4-dimethylphenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-1-(3-chloro-4-fluoro-phenyl)-4-[5-[(4-chlorophenoxy)methyl]-2,4-dimethyl-phenyl]-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C31H26Cl2FN3O2 MolecularWeight: 562.461443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2C(=C(N(C3=C2C(=O)CCC3)C4=CC(=C(C=C4)F)Cl)N)C#N)COC5=CC=C(C=C5)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1C2C(=C(N(C3=C2C(=O)CCC3)C4=CC(=C(C=C4)F)Cl)N)C#N)COC5=CC=C(C=C5)Cl)C

InChI

InChI=1S/C31H26Cl2FN3O2/c1-17-12-18(2)23(13-19(17)16-39-22-9-6-20(32)7-10-22)29-24(15-35)31(36)37(21-8-11-26(34)25(33)14-21)27-4-3-5-28(38)30(27)29/h6-14,29H,3-5,16,36H2,1-2H3