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

Systemtic Name: methyl 1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxylate Openeye Name: methyl 1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxylate CAS Name: 1-[4-(2-pyrimidinyl)-1-piperazinyl]-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxylate Traditional Name: 1-[4-(2-pyrimidyl)piperazino]isoquinoline-4-carboxylic acid methyl ester Formula: C19H19N5O2 MolecularWeight: 349.38646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O2/c1-26-18(25)16-13-22-17(15-6-3-2-5-14(15)16)23-9-11-24(12-10-23)19-20-7-4-8-21-19/h2-8,13H,9-12H2,1H3