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

Systemtic Name: 2-azanyl-4-[3-[(2-chloranyl-4-fluoranyl-phenoxy)methyl]-2,5-dimethyl-phenyl]-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-[3-[(2-chloro-4-fluoro-phenoxy)methyl]-2,5-dimethyl-phenyl]-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-[3-[(2-chloro-4-fluorophenoxy)methyl]-2,5-dimethylphenyl]-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-[3-[(2-chloro-4-fluorophenoxy)methyl]-2,5-dimethylphenyl]-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-[3-[(2-chloro-4-fluoro-phenoxy)methyl]-2,5-dimethyl-phenyl]-5-keto-1-(4-methoxyphenyl)-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C34H33ClFN3O3 MolecularWeight: 586.095523

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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=C(C=C4)OC)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)CC(C3)(C)C)C4=CC=C(C=C4)OC)N)C#N)C)COC5=C(C=C(C=C5)F)Cl

InChI

InChI=1S/C34H33ClFN3O3/c1-19-12-21(18-42-30-11-6-22(36)14-27(30)35)20(2)25(13-19)31-26(17-37)33(38)39(23-7-9-24(41-5)10-8-23)28-15-34(3,4)16-29(40)32(28)31/h6-14,31H,15-16,18,38H2,1-5H3