N-(oxolan-2-ylmethyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide

Systemtic Name: N-(oxolan-2-ylmethyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Openeye Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(tetrahydrofuran-2-ylmethyl)isoquinoline-4-carboxamide CAS Name: N-(2-oxolanylmethyl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-4-isoquinolinecarboxamide IUPAC Name: N-(oxolan-2-ylmethyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Traditional Name: 1-[4-(2-pyrimidyl)piperazino]-N-(tetrahydrofurfuryl)isoquinoline-4-carboxamide Formula: C23H26N6O2 MolecularWeight: 418.49154

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C1CC(OC1)CNC(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C23H26N6O2/c30-22(27-15-17-5-3-14-31-17)20-16-26-21(19-7-2-1-6-18(19)20)28-10-12-29(13-11-28)23-24-8-4-9-25-23/h1-2,4,6-9,16-17H,3,5,10-15H2,(H,27,30)