1-[3-[[(1-cyclopentylpiperidin-4-yl)methyl-(pyridin-3-ylmethyl)amino]methyl]phenyl]ethanone

Systemtic Name: 1-[3-[[(1-cyclopentylpiperidin-4-yl)methyl-(pyridin-3-ylmethyl)amino]methyl]phenyl]ethanone Openeye Name: 1-[3-[[(1-cyclopentyl-4-piperidyl)methyl-(3-pyridylmethyl)amino]methyl]phenyl]ethanone CAS Name: 1-[3-[[(1-cyclopentyl-4-piperidinyl)methyl-(3-pyridinylmethyl)amino]methyl]phenyl]ethanone IUPAC Name: 1-[3-[[(1-cyclopentylpiperidin-4-yl)methyl-(pyridin-3-ylmethyl)amino]methyl]phenyl]ethanone Traditional Name: 1-[3-[[(1-cyclopentyl-4-piperidyl)methyl-(3-pyridylmethyl)amino]methyl]phenyl]ethanone Formula: C26H35N3O MolecularWeight: 405.5756

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)CN(CC2CCN(CC2)C3CCCC3)CC4=CN=CC=C4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)CN(CC2CCN(CC2)C3CCCC3)CC4=CN=CC=C4

InChI

InChI=1S/C26H35N3O/c1-21(30)25-8-4-6-23(16-25)19-28(20-24-7-5-13-27-17-24)18-22-11-14-29(15-12-22)26-9-2-3-10-26/h4-8,13,16-17,22,26H,2-3,9-12,14-15,18-20H2,1H3