methyl 1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxylate

Systemtic Name: methyl 1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxylate Openeye Name: methyl 1-[4-(2-pyridyl)piperazin-1-yl]isoquinoline-4-carboxylate CAS Name: 1-[4-(2-pyridinyl)-1-piperazinyl]-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxylate Traditional Name: 1-[4-(2-pyridyl)piperazino]isoquinoline-4-carboxylic acid methyl ester Formula: C20H20N4O2 MolecularWeight: 348.3984

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C2=CC=CC=C21)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

COC(=O)C1=CN=C(C2=CC=CC=C21)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C20H20N4O2/c1-26-20(25)17-14-22-19(16-7-3-2-6-15(16)17)24-12-10-23(11-13-24)18-8-4-5-9-21-18/h2-9,14H,10-13H2,1H3