[3-butyl-2-(3-cyanophenyl)-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] propanoate

Systemtic Name: [3-butyl-2-(3-cyanophenyl)-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] propanoate Openeye Name: [3-butyl-2-(3-cyanophenyl)-7-methyl-6,8-dioxo-7-isoquinolyl] propanoate CAS Name: propanoic acid [3-butyl-2-(3-cyanophenyl)-7-methyl-6,8-dioxo-7-isoquinolinyl] ester IUPAC Name: [3-butyl-2-(3-cyanophenyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] propanoate Traditional Name: propionic acid [3-butyl-2-(3-cyanophenyl)-6,8-diketo-7-methyl-7-isoquinolyl] ester Formula: C24H24N2O4 MolecularWeight: 404.45836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC(=O)C(C(=O)C2=CN1C3=CC=CC(=C3)C#N)(C)OC(=O)CC

Isomeric SMILES

CCCCC1=CC2=CC(=O)C(C(=O)C2=CN1C3=CC=CC(=C3)C#N)(C)OC(=O)CC

InChI

InChI=1S/C24H24N2O4/c1-4-6-9-19-12-17-13-21(27)24(3,30-22(28)5-2)23(29)20(17)15-26(19)18-10-7-8-16(11-18)14-25/h7-8,10-13,15H,4-6,9H2,1-3H3