[2-[4-(diethylamino)phenyl]-2-oxidanylidene-ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [2-[4-(diethylamino)phenyl]-2-oxidanylidene-ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [2-[4-(diethylamino)phenyl]-2-oxo-ethyl] 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [2-[4-(diethylamino)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(diethylamino)phenyl]-2-oxoethyl] 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [2-[4-(diethylamino)phenyl]-2-keto-ethyl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=CC=CC=C3C(=O)N2

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C22H22N2O4/c1-3-24(4-2)17-11-9-15(10-12-17)20(25)14-28-22(27)19-13-16-7-5-6-8-18(16)21(26)23-19/h5-13H,3-4,14H2,1-2H3,(H,23,26)