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

Systemtic Name: 4-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]-2-methyl-phthalazin-1-one Openeye Name: 4-(6,7-diethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methyl-phthalazin-1-one CAS Name: 4-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]-2-methyl-1-phthalazinone IUPAC Name: 4-(6,7-diethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methylphthalazin-1-one Traditional Name: 4-(6,7-diethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methyl-phthalazin-1-one Formula: C23H25N3O4 MolecularWeight: 407.4623

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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)C)OCC

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O4/c1-4-29-19-12-15-10-11-26(14-16(15)13-20(19)30-5-2)23(28)21-17-8-6-7-9-18(17)22(27)25(3)24-21/h6-9,12-13H,4-5,10-11,14H2,1-3H3