N-[(3-bromanyl-5-cyano-phenyl)methyl]-2-[4-(4-fluorophenyl)piperidin-4-yl]-N-methyl-ethanamide

Systemtic Name: N-[(3-bromanyl-5-cyano-phenyl)methyl]-2-[4-(4-fluorophenyl)piperidin-4-yl]-N-methyl-ethanamide Openeye Name: N-[(3-bromo-5-cyano-phenyl)methyl]-2-[4-(4-fluorophenyl)-4-piperidyl]-N-methyl-acetamide CAS Name: N-[(3-bromo-5-cyanophenyl)methyl]-2-[4-(4-fluorophenyl)-4-piperidinyl]-N-methylacetamide IUPAC Name: N-[(3-bromo-5-cyanophenyl)methyl]-2-[4-(4-fluorophenyl)piperidin-4-yl]-N-methylacetamide Traditional Name: N-(3-bromo-5-cyano-benzyl)-2-[4-(4-fluorophenyl)-4-piperidyl]-N-methyl-acetamide Formula: C22H23BrFN3O MolecularWeight: 444.339923

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC(=C1)C#N)Br)C(=O)CC2(CCNCC2)C3=CC=C(C=C3)F

Isomeric SMILES

CN(CC1=CC(=CC(=C1)C#N)Br)C(=O)CC2(CCNCC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H23BrFN3O/c1-27(15-17-10-16(14-25)11-19(23)12-17)21(28)13-22(6-8-26-9-7-22)18-2-4-20(24)5-3-18/h2-5,10-12,26H,6-9,13,15H2,1H3