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

Systemtic Name: 4-[[(1R)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]carbonyl]-2-methyl-phthalazin-1-one Openeye Name: 4-[(1R)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-2-methyl-phthalazin-1-one CAS Name: 4-[[(1R)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-oxomethyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[(1R)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-2-methylphthalazin-1-one Traditional Name: 4-[(1R)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-2-methyl-phthalazin-1-one Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC4=CC(=C(C=C4C3C5=CC=CS5)OC)OC

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC4=CC(=C(C=C4[C@@H]3C5=CC=CS5)OC)OC

InChI

InChI=1S/C25H23N3O4S/c1-27-24(29)17-8-5-4-7-16(17)22(26-27)25(30)28-11-10-15-13-19(31-2)20(32-3)14-18(15)23(28)21-9-6-12-33-21/h4-9,12-14,23H,10-11H2,1-3H3/t23-/m1/s1