1-(4-chloranyl-2-fluoranyl-phenyl)-N-(1-methylisoquinolin-5-yl)piperidine-4-carboxamide

Systemtic Name: 1-(4-chloranyl-2-fluoranyl-phenyl)-N-(1-methylisoquinolin-5-yl)piperidine-4-carboxamide Openeye Name: 1-(4-chloro-2-fluoro-phenyl)-N-(1-methyl-5-isoquinolyl)piperidine-4-carboxamide CAS Name: 1-(4-chloro-2-fluorophenyl)-N-(1-methyl-5-isoquinolinyl)-4-piperidinecarboxamide IUPAC Name: 1-(4-chloro-2-fluorophenyl)-N-(1-methylisoquinolin-5-yl)piperidine-4-carboxamide Traditional Name: 1-(4-chloro-2-fluoro-phenyl)-N-(1-methyl-5-isoquinolyl)isonipecotamide Formula: C22H21ClFN3O MolecularWeight: 397.873043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC2=C1C=CC=C2NC(=O)C3CCN(CC3)C4=C(C=C(C=C4)Cl)F

Isomeric SMILES

CC1=NC=CC2=C1C=CC=C2NC(=O)C3CCN(CC3)C4=C(C=C(C=C4)Cl)F

InChI

InChI=1S/C22H21ClFN3O/c1-14-17-3-2-4-20(18(17)7-10-25-14)26-22(28)15-8-11-27(12-9-15)21-6-5-16(23)13-19(21)24/h2-7,10,13,15H,8-9,11-12H2,1H3,(H,26,28)