2-azanyl-4-[3-[(4-chloranyl-2-methyl-phenoxy)methyl]-2,5-dimethyl-phenyl]-7,7-dimethyl-5-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-[3-[(4-chloranyl-2-methyl-phenoxy)methyl]-2,5-dimethyl-phenyl]-7,7-dimethyl-5-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-[3-[(4-chloro-2-methyl-phenoxy)methyl]-2,5-dimethyl-phenyl]-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-[3-[(4-chloro-2-methylphenoxy)methyl]-2,5-dimethylphenyl]-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-[3-[(4-chloro-2-methylphenoxy)methyl]-2,5-dimethylphenyl]-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-[3-[(4-chloro-2-methyl-phenoxy)methyl]-2,5-dimethyl-phenyl]-5-keto-7,7-dimethyl-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C35H33ClF3N3O2 MolecularWeight: 620.10363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H33ClF3N3O2/c1-19-11-22(18-44-30-10-9-24(36)13-20(30)2)21(3)26(12-19)31-27(17-40)33(41)42(25-8-6-7-23(14-25)35(37,38)39)28-15-34(4,5)16-29(43)32(28)31/h6-14,31H,15-16,18,41H2,1-5H3