4-chloranyl-5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(phenylmethyl)pyridazin-3-one

Systemtic Name: 4-chloranyl-5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(phenylmethyl)pyridazin-3-one Openeye Name: 2-benzyl-4-chloro-5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-one CAS Name: 4-chloro-5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(phenylmethyl)-3-pyridazinone IUPAC Name: 2-benzyl-4-chloro-5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-one Traditional Name: 2-benzyl-4-chloro-5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-one Formula: C22H22ClN3O3 MolecularWeight: 411.88138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3=C(C(=O)N(N=C3)CC4=CC=CC=C4)Cl)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C3=C(C(=O)N(N=C3)CC4=CC=CC=C4)Cl)OC

InChI

InChI=1S/C22H22ClN3O3/c1-28-19-10-16-8-9-25(14-17(16)11-20(19)29-2)18-12-24-26(22(27)21(18)23)13-15-6-4-3-5-7-15/h3-7,10-12H,8-9,13-14H2,1-2H3