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

Systemtic Name: [3-(4-cyanophenyl)-2-cyclopropyl-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] 3-phenylpropanoate Openeye Name: [3-(4-cyanophenyl)-2-cyclopropyl-7-methyl-6,8-dioxo-7-isoquinolyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [3-(4-cyanophenyl)-2-cyclopropyl-7-methyl-6,8-dioxo-7-isoquinolinyl] ester IUPAC Name: [3-(4-cyanophenyl)-2-cyclopropyl-7-methyl-6,8-dioxoisoquinolin-7-yl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [3-(4-cyanophenyl)-2-cyclopropyl-6,8-diketo-7-methyl-7-isoquinolyl] ester Formula: C29H24N2O4 MolecularWeight: 464.51186

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C2C=C(N(C=C2C1=O)C3CC3)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)C3CC3)C4=CC=C(C=C4)C#N)OC(=O)CCC5=CC=CC=C5

InChI

InChI=1S/C29H24N2O4/c1-29(35-27(33)14-9-19-5-3-2-4-6-19)26(32)16-22-15-25(21-10-7-20(17-30)8-11-21)31(23-12-13-23)18-24(22)28(29)34/h2-8,10-11,15-16,18,23H,9,12-14H2,1H3