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

Systemtic Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-6,7-dimethoxy-2-methyl-3-pyridin-3-yl-3,4-dihydroisoquinolin-1-one Openeye Name: 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-methyl-3-(3-pyridyl)-3,4-dihydroisoquinolin-1-one CAS Name: 4-[[4-(2-fluorophenyl)-1-piperazinyl]-oxomethyl]-6,7-dimethoxy-2-methyl-3-(3-pyridinyl)-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-methyl-3-pyridin-3-yl-3,4-dihydroisoquinolin-1-one Traditional Name: 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-methyl-3-(3-pyridyl)-3,4-dihydroisocarbostyril Formula: C28H29FN4O4 MolecularWeight: 504.552663

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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=CN=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C28H29FN4O4/c1-31-26(18-7-6-10-30-17-18)25(19-15-23(36-2)24(37-3)16-20(19)27(31)34)28(35)33-13-11-32(12-14-33)22-9-5-4-8-21(22)29/h4-10,15-17,25-26H,11-14H2,1-3H3