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

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Openeye Name: N-(2,4-difluorophenyl)-1-[4-(2-pyridyl)piperazin-1-yl]isoquinoline-4-carboxamide CAS Name: N-(2,4-difluorophenyl)-1-[4-(2-pyridinyl)-1-piperazinyl]-4-isoquinolinecarboxamide IUPAC Name: N-(2,4-difluorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Traditional Name: N-(2,4-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=C(C=C5)F)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=NC=C(C4=CC=CC=C43)C(=O)NC5=C(C=C(C=C5)F)F

InChI

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