3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-4-(4-phenylpiperazin-1-yl)carbonyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-4-(4-phenylpiperazin-1-yl)carbonyl-3,4-dihydroisoquinolin-1-one Openeye Name: 3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-4-(4-phenylpiperazine-1-carbonyl)-3,4-dihydroisoquinolin-1-one CAS Name: 3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-4-[oxo-(4-phenyl-1-piperazinyl)methyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-4-(4-phenylpiperazine-1-carbonyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-4-(4-phenylpiperazine-1-carbonyl)-3,4-dihydroisocarbostyril Formula: C29H30FN3O4 MolecularWeight: 503.564603

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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=C4)C5=CC=CC=C5F

Isomeric SMILES

CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)C4=CC=CC=C4)C5=CC=CC=C5F

InChI

InChI=1S/C29H30FN3O4/c1-31-27(20-11-7-8-12-23(20)30)26(21-17-24(36-2)25(37-3)18-22(21)28(31)34)29(35)33-15-13-32(14-16-33)19-9-5-4-6-10-19/h4-12,17-18,26-27H,13-16H2,1-3H3