N-(3-fluorophenyl)-1-piperidin-1-yl-isoquinoline-4-carboxamide

Systemtic Name: N-(3-fluorophenyl)-1-piperidin-1-yl-isoquinoline-4-carboxamide Openeye Name: N-(3-fluorophenyl)-1-(1-piperidyl)isoquinoline-4-carboxamide CAS Name: N-(3-fluorophenyl)-1-(1-piperidinyl)-4-isoquinolinecarboxamide IUPAC Name: N-(3-fluorophenyl)-1-piperidin-1-ylisoquinoline-4-carboxamide Traditional Name: N-(3-fluorophenyl)-1-piperidino-isoquinoline-4-carboxamide Formula: C21H20FN3O MolecularWeight: 349.401403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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