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

Systemtic Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxylate Openeye Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxylate CAS Name: 1-[4-(2-pyrimidinyl)-1-piperazinyl]-4-isoquinolinecarboxylate IUPAC Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxylate Traditional Name: 1-[4-(2-pyrimidyl)piperazino]isoquinoline-4-carboxylate Formula: C18H16N5O2- MolecularWeight: 334.35194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C3=CC=CC=C32)C(=O)[O-])C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1C2=NC=C(C3=CC=CC=C32)C(=O)[O-])C4=NC=CC=N4

InChI

InChI=1S/C18H17N5O2/c24-17(25)15-12-21-16(14-5-2-1-4-13(14)15)22-8-10-23(11-9-22)18-19-6-3-7-20-18/h1-7,12H,8-11H2,(H,24,25)/p-1