methyl 1-[4-(4-fluorophenyl)piperazin-1-yl]isoquinoline-4-carboxylate

Systemtic Name: methyl 1-[4-(4-fluorophenyl)piperazin-1-yl]isoquinoline-4-carboxylate Openeye Name: methyl 1-[4-(4-fluorophenyl)piperazin-1-yl]isoquinoline-4-carboxylate CAS Name: 1-[4-(4-fluorophenyl)-1-piperazinyl]-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(4-fluorophenyl)piperazin-1-yl]isoquinoline-4-carboxylate Traditional Name: 1-[4-(4-fluorophenyl)piperazino]isoquinoline-4-carboxylic acid methyl ester Formula: C21H20FN3O2 MolecularWeight: 365.400803

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C2=CC=CC=C21)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=CN=C(C2=CC=CC=C21)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H20FN3O2/c1-27-21(26)19-14-23-20(18-5-3-2-4-17(18)19)25-12-10-24(11-13-25)16-8-6-15(22)7-9-16/h2-9,14H,10-13H2,1H3