2-[4-[4-[(2-bromanyl-5-fluoranyl-phenyl)methyl]piperidin-1-yl]piperidin-1-yl]-4-methoxy-benzenecarbonitrile

Systemtic Name: 2-[4-[4-[(2-bromanyl-5-fluoranyl-phenyl)methyl]piperidin-1-yl]piperidin-1-yl]-4-methoxy-benzenecarbonitrile Openeye Name: 2-[4-[4-[(2-bromo-5-fluoro-phenyl)methyl]-1-piperidyl]-1-piperidyl]-4-methoxy-benzonitrile CAS Name: 2-[4-[4-[(2-bromo-5-fluorophenyl)methyl]-1-piperidinyl]-1-piperidinyl]-4-methoxybenzonitrile IUPAC Name: 2-[4-[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-4-methoxybenzonitrile Traditional Name: 2-[4-[4-(2-bromo-5-fluoro-benzyl)piperidino]piperidino]-4-methoxy-benzonitrile Formula: C25H29BrFN3O MolecularWeight: 486.419663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C#N)N2CCC(CC2)N3CCC(CC3)CC4=C(C=CC(=C4)F)Br

Isomeric SMILES

COC1=CC(=C(C=C1)C#N)N2CCC(CC2)N3CCC(CC3)CC4=C(C=CC(=C4)F)Br

InChI

InChI=1S/C25H29BrFN3O/c1-31-23-4-2-19(17-28)25(16-23)30-12-8-22(9-13-30)29-10-6-18(7-11-29)14-20-15-21(27)3-5-24(20)26/h2-5,15-16,18,22H,6-14H2,1H3