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

Systemtic Name: 2-azanyl-4-[3-[(4-chloranyl-2-methyl-phenoxy)methyl]-2,5-dimethyl-phenyl]-1-(4-iodophenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-[3-[(4-chloro-2-methyl-phenoxy)methyl]-2,5-dimethyl-phenyl]-1-(4-iodophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-[3-[(4-chloro-2-methylphenoxy)methyl]-2,5-dimethylphenyl]-1-(4-iodophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-[3-[(4-chloro-2-methylphenoxy)methyl]-2,5-dimethylphenyl]-1-(4-iodophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-[3-[(4-chloro-2-methyl-phenoxy)methyl]-2,5-dimethyl-phenyl]-1-(4-iodophenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C34H33ClIN3O2 MolecularWeight: 678.00219

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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)I)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=C(C=C4)I)N)C#N)C)COC5=C(C=C(C=C5)Cl)C

InChI

InChI=1S/C34H33ClIN3O2/c1-19-12-22(18-41-30-11-6-23(35)14-20(30)2)21(3)26(13-19)31-27(17-37)33(38)39(25-9-7-24(36)8-10-25)28-15-34(4,5)16-29(40)32(28)31/h6-14,31H,15-16,18,38H2,1-5H3