3-[4-[4-[(2-bromanyl-5-methoxy-phenyl)methyl]piperidin-1-yl]piperidin-1-yl]benzenecarbonitrile

Systemtic Name: 3-[4-[4-[(2-bromanyl-5-methoxy-phenyl)methyl]piperidin-1-yl]piperidin-1-yl]benzenecarbonitrile Openeye Name: 3-[4-[4-[(2-bromo-5-methoxy-phenyl)methyl]-1-piperidyl]-1-piperidyl]benzonitrile CAS Name: 3-[4-[4-[(2-bromo-5-methoxyphenyl)methyl]-1-piperidinyl]-1-piperidinyl]benzonitrile IUPAC Name: 3-[4-[4-[(2-bromo-5-methoxyphenyl)methyl]piperidin-1-yl]piperidin-1-yl]benzonitrile Traditional Name: 3-[4-[4-(2-bromo-5-methoxy-benzyl)piperidino]piperidino]benzonitrile Formula: C25H30BrN3O MolecularWeight: 468.4292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)CC2CCN(CC2)C3CCN(CC3)C4=CC=CC(=C4)C#N

Isomeric SMILES

COC1=CC(=C(C=C1)Br)CC2CCN(CC2)C3CCN(CC3)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C25H30BrN3O/c1-30-24-5-6-25(26)21(17-24)15-19-7-11-28(12-8-19)22-9-13-29(14-10-22)23-4-2-3-20(16-23)18-27/h2-6,16-17,19,22H,7-15H2,1H3