4-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-6,7-dimethoxy-2-methyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-6,7-dimethoxy-2-methyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one Openeye Name: 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-methyl-3-(2-thienyl)-3,4-dihydroisoquinolin-1-one CAS Name: 4-[[4-(2-fluorophenyl)-1-piperazinyl]-oxomethyl]-6,7-dimethoxy-2-methyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-methyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one Traditional Name: 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-methyl-3-(2-thienyl)-3,4-dihydroisocarbostyril Formula: C27H28FN3O4S MolecularWeight: 509.592323

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)C4=CC=CC=C4F)C5=CC=CS5

Isomeric SMILES

CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)C4=CC=CC=C4F)C5=CC=CS5

InChI

InChI=1S/C27H28FN3O4S/c1-29-25(23-9-6-14-36-23)24(17-15-21(34-2)22(35-3)16-18(17)26(29)32)27(33)31-12-10-30(11-13-31)20-8-5-4-7-19(20)28/h4-9,14-16,24-25H,10-13H2,1-3H3