N-[2,6-bis(fluoranyl)phenyl]-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide

Systemtic Name: N-[2,6-bis(fluoranyl)phenyl]-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Openeye Name: N-(2,6-difluorophenyl)-1-[4-(2-pyridyl)piperazin-1-yl]isoquinoline-4-carboxamide CAS Name: N-(2,6-difluorophenyl)-1-[4-(2-pyridinyl)-1-piperazinyl]-4-isoquinolinecarboxamide IUPAC Name: N-(2,6-difluorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Traditional Name: N-(2,6-difluorophenyl)-1-[4-(2-pyridyl)piperazino]isoquinoline-4-carboxamide Formula: C25H21F2N5O MolecularWeight: 445.463946

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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=C(C=CC=C5F)F

Isomeric SMILES

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

InChI

InChI=1S/C25H21F2N5O/c26-20-8-5-9-21(27)23(20)30-25(33)19-16-29-24(18-7-2-1-6-17(18)19)32-14-12-31(13-15-32)22-10-3-4-11-28-22/h1-11,16H,12-15H2,(H,30,33)