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

Systemtic Name: 4-[(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]-2-propyl-phthalazin-1-one Openeye Name: 4-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-2-propyl-phthalazin-1-one CAS Name: 4-[(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]-2-propyl-1-phthalazinone IUPAC Name: 4-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-propylphthalazin-1-one Traditional Name: 4-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-2-propyl-phthalazin-1-one Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC4=CC(=C(C=C4C3C5=CC=CS5)OC)OC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC4=CC(=C(C=C4C3C5=CC=CS5)OC)OC

InChI

InChI=1S/C27H27N3O4S/c1-4-12-30-26(31)19-9-6-5-8-18(19)24(28-30)27(32)29-13-11-17-15-21(33-2)22(34-3)16-20(17)25(29)23-10-7-14-35-23/h5-10,14-16,25H,4,11-13H2,1-3H3