N-(2-fluorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide

Systemtic Name: N-(2-fluorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Openeye Name: N-(2-fluorophenyl)-1-[4-(2-pyridyl)piperazin-1-yl]isoquinoline-4-carboxamide CAS Name: N-(2-fluorophenyl)-1-[4-(2-pyridinyl)-1-piperazinyl]-4-isoquinolinecarboxamide IUPAC Name: N-(2-fluorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Traditional Name: N-(2-fluorophenyl)-1-[4-(2-pyridyl)piperazino]isoquinoline-4-carboxamide Formula: C25H22FN5O MolecularWeight: 427.473483

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C3=NC=C(C4=CC=CC=C43)C(=O)NC5=CC=CC=C5F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=NC=C(C4=CC=CC=C43)C(=O)NC5=CC=CC=C5F

InChI

InChI=1S/C25H22FN5O/c26-21-9-3-4-10-22(21)29-25(32)20-17-28-24(19-8-2-1-7-18(19)20)31-15-13-30(14-16-31)23-11-5-6-12-27-23/h1-12,17H,13-16H2,(H,29,32)