(phenylmethyl) 2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxidanylidene-pyridazin-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxidanylidene-pyridazin-1-yl]ethanoate Openeye Name: benzyl 2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxo-pyridazin-1-yl]acetate CAS Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxo-1-pyridazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxopyridazin-1-yl]acetate Traditional Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-keto-pyridazin-1-yl]acetic acid benzyl ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=CC(=O)N(N=C3)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=CC(=O)N(N=C3)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H21N3O3/c26-21-12-20(24-11-10-18-8-4-5-9-19(18)14-24)13-23-25(21)15-22(27)28-16-17-6-2-1-3-7-17/h1-9,12-13H,10-11,14-16H2