N-[2,5-bis(fluoranyl)phenyl]-1-piperidin-1-yl-isoquinoline-4-carboxamide

Systemtic Name: N-[2,5-bis(fluoranyl)phenyl]-1-piperidin-1-yl-isoquinoline-4-carboxamide Openeye Name: N-(2,5-difluorophenyl)-1-(1-piperidyl)isoquinoline-4-carboxamide CAS Name: N-(2,5-difluorophenyl)-1-(1-piperidinyl)-4-isoquinolinecarboxamide IUPAC Name: N-(2,5-difluorophenyl)-1-piperidin-1-ylisoquinoline-4-carboxamide Traditional Name: N-(2,5-difluorophenyl)-1-piperidino-isoquinoline-4-carboxamide Formula: C21H19F2N3O MolecularWeight: 367.391866

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)NC4=C(C=CC(=C4)F)F

Isomeric SMILES

C1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)NC4=C(C=CC(=C4)F)F

InChI

InChI=1S/C21H19F2N3O/c22-14-8-9-18(23)19(12-14)25-21(27)17-13-24-20(26-10-4-1-5-11-26)16-7-3-2-6-15(16)17/h2-3,6-9,12-13H,1,4-5,10-11H2,(H,25,27)