N-(2-fluorophenyl)-1-piperidin-1-yl-isoquinoline-4-carboxamide

Systemtic Name: N-(2-fluorophenyl)-1-piperidin-1-yl-isoquinoline-4-carboxamide Openeye Name: N-(2-fluorophenyl)-1-(1-piperidyl)isoquinoline-4-carboxamide CAS Name: N-(2-fluorophenyl)-1-(1-piperidinyl)-4-isoquinolinecarboxamide IUPAC Name: N-(2-fluorophenyl)-1-piperidin-1-ylisoquinoline-4-carboxamide Traditional Name: N-(2-fluorophenyl)-1-piperidino-isoquinoline-4-carboxamide Formula: C21H20FN3O MolecularWeight: 349.401403

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)NC4=CC=CC=C4F

Isomeric SMILES

C1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)NC4=CC=CC=C4F

InChI

InChI=1S/C21H20FN3O/c22-18-10-4-5-11-19(18)24-21(26)17-14-23-20(25-12-6-1-7-13-25)16-9-3-2-8-15(16)17/h2-5,8-11,14H,1,6-7,12-13H2,(H,24,26)