4-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]-2-phenyl-phthalazin-1-one

Systemtic Name: 4-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]-2-phenyl-phthalazin-1-one Openeye Name: 4-(6,7-diethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-phenyl-phthalazin-1-one CAS Name: 4-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]-2-phenyl-1-phthalazinone IUPAC Name: 4-(6,7-diethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-phenylphthalazin-1-one Traditional Name: 4-(6,7-diethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-phenyl-phthalazin-1-one Formula: C28H27N3O4 MolecularWeight: 469.53168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5)OCC

InChI

InChI=1S/C28H27N3O4/c1-3-34-24-16-19-14-15-30(18-20(19)17-25(24)35-4-2)28(33)26-22-12-8-9-13-23(22)27(32)31(29-26)21-10-6-5-7-11-21/h5-13,16-17H,3-4,14-15,18H2,1-2H3