N-(4-bromanyl-2-fluoranyl-phenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidine-1-carboxamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidine-1-carboxamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidine-1-carboxamide CAS Name: N-(4-bromo-2-fluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-piperidinecarboxamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidine-1-carboxamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidine-1-carboxamide Formula: C22H25BrFN3O MolecularWeight: 446.355803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2CCC3=CC=CC=C3C2)C(=O)NC4=C(C=C(C=C4)Br)F

Isomeric SMILES

C1CN(CCC1CN2CCC3=CC=CC=C3C2)C(=O)NC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C22H25BrFN3O/c23-19-5-6-21(20(24)13-19)25-22(28)27-11-7-16(8-12-27)14-26-10-9-17-3-1-2-4-18(17)15-26/h1-6,13,16H,7-12,14-15H2,(H,25,28)