[3-butyl-7-methyl-6,8-bis(oxidanylidene)-2-pyridin-4-yl-isoquinolin-7-yl] propanoate

Systemtic Name: [3-butyl-7-methyl-6,8-bis(oxidanylidene)-2-pyridin-4-yl-isoquinolin-7-yl] propanoate Openeye Name: [3-butyl-7-methyl-6,8-dioxo-2-(4-pyridyl)-7-isoquinolyl] propanoate CAS Name: propanoic acid (3-butyl-7-methyl-6,8-dioxo-2-pyridin-4-yl-7-isoquinolinyl) ester IUPAC Name: (3-butyl-7-methyl-6,8-dioxo-2-pyridin-4-ylisoquinolin-7-yl) propanoate Traditional Name: propionic acid [3-butyl-6,8-diketo-7-methyl-2-(4-pyridyl)-7-isoquinolyl] ester Formula: C22H24N2O4 MolecularWeight: 380.43696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4/c1-4-6-7-17-12-15-13-19(25)22(3,28-20(26)5-2)21(27)18(15)14-24(17)16-8-10-23-11-9-16/h8-14H,4-7H2,1-3H3