[3-(4-cyanophenyl)-7-methyl-6,8-bis(oxidanylidene)-2-(2-pyridin-2-ylethyl)isoquinolin-7-yl] 3-phenylpropanoate

Systemtic Name: [3-(4-cyanophenyl)-7-methyl-6,8-bis(oxidanylidene)-2-(2-pyridin-2-ylethyl)isoquinolin-7-yl] 3-phenylpropanoate Openeye Name: [3-(4-cyanophenyl)-7-methyl-6,8-dioxo-2-[2-(2-pyridyl)ethyl]-7-isoquinolyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [3-(4-cyanophenyl)-7-methyl-6,8-dioxo-2-[2-(2-pyridinyl)ethyl]-7-isoquinolinyl] ester IUPAC Name: [3-(4-cyanophenyl)-7-methyl-6,8-dioxo-2-(2-pyridin-2-ylethyl)isoquinolin-7-yl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [3-(4-cyanophenyl)-6,8-diketo-7-methyl-2-[2-(2-pyridyl)ethyl]-7-isoquinolyl] ester Formula: C33H27N3O4 MolecularWeight: 529.58518

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C2C=C(N(C=C2C1=O)CCC3=CC=CC=N3)C4=CC=C(C=C4)C#N)OC(=O)CCC5=CC=CC=C5

Isomeric SMILES

CC1(C(=O)C=C2C=C(N(C=C2C1=O)CCC3=CC=CC=N3)C4=CC=C(C=C4)C#N)OC(=O)CCC5=CC=CC=C5

InChI

InChI=1S/C33H27N3O4/c1-33(40-31(38)15-12-23-7-3-2-4-8-23)30(37)20-26-19-29(25-13-10-24(21-34)11-14-25)36(22-28(26)32(33)39)18-16-27-9-5-6-17-35-27/h2-11,13-14,17,19-20,22H,12,15-16,18H2,1H3