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

Systemtic Name: 2-azanyl-4-[5-[(2-chloranylphenoxy)methyl]-2,4-dimethyl-phenyl]-1-(4-iodophenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-[5-[(2-chlorophenoxy)methyl]-2,4-dimethyl-phenyl]-1-(4-iodophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-[5-[(2-chlorophenoxy)methyl]-2,4-dimethylphenyl]-1-(4-iodophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-[5-[(2-chlorophenoxy)methyl]-2,4-dimethylphenyl]-1-(4-iodophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-[5-[(2-chlorophenoxy)methyl]-2,4-dimethyl-phenyl]-1-(4-iodophenyl)-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C31H27ClIN3O2 MolecularWeight: 635.92245

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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)I)N)C#N)COC5=CC=CC=C5Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=C(C=C4)I)N)C#N)COC5=CC=CC=C5Cl)C

InChI

InChI=1S/C31H27ClIN3O2/c1-18-14-19(2)23(15-20(18)17-38-28-9-4-3-6-25(28)32)29-24(16-34)31(35)36(22-12-10-21(33)11-13-22)26-7-5-8-27(37)30(26)29/h3-4,6,9-15,29H,5,7-8,17,35H2,1-2H3