2-azanyl-4-[3-[(4-chloranylphenoxy)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-chloranylphenoxy)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-chlorophenoxy)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-chlorophenoxy)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-chlorophenoxy)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-chlorophenoxy)methyl]-2,5-dimethyl-phenyl]-1-(4-iodophenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C33H31ClIN3O2 MolecularWeight: 663.97561

Click to see the large picture

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=CC=C(C=C5)Cl

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=CC=C(C=C5)Cl

InChI

InChI=1S/C33H31ClIN3O2/c1-19-13-21(18-40-25-11-5-22(34)6-12-25)20(2)26(14-19)30-27(17-36)32(37)38(24-9-7-23(35)8-10-24)28-15-33(3,4)16-29(39)31(28)30/h5-14,30H,15-16,18,37H2,1-4H3