4-chloranyl-5-[(4S)-5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenyl-pyridazin-3-one

Systemtic Name: 4-chloranyl-5-[(4S)-5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenyl-pyridazin-3-one Openeye Name: 4-chloro-5-[(4S)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenyl-pyridazin-3-one CAS Name: 4-chloro-5-[(4S)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenyl-3-pyridazinone IUPAC Name: 4-chloro-5-[(4S)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenylpyridazin-3-one Traditional Name: 4-chloro-5-[(4S)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenyl-pyridazin-3-one Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2CN(CC(C2=C(C=C1)OC)O)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

COC1=C2CN(C[C@H](C2=C(C=C1)OC)O)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C21H20ClN3O4/c1-28-17-8-9-18(29-2)19-14(17)11-24(12-16(19)26)15-10-23-25(21(27)20(15)22)13-6-4-3-5-7-13/h3-10,16,26H,11-12H2,1-2H3/t16-/m1/s1