1-[4-[3-[[methyl(quinolin-5-ylmethyl)amino]methyl]phenoxy]piperidin-1-yl]-2-pyrazol-1-yl-ethanone

Systemtic Name: 1-[4-[3-[[methyl(quinolin-5-ylmethyl)amino]methyl]phenoxy]piperidin-1-yl]-2-pyrazol-1-yl-ethanone Openeye Name: 1-[4-[3-[[methyl(5-quinolylmethyl)amino]methyl]phenoxy]-1-piperidyl]-2-pyrazol-1-yl-ethanone CAS Name: 1-[4-[3-[[methyl(5-quinolinylmethyl)amino]methyl]phenoxy]-1-piperidinyl]-2-(1-pyrazolyl)ethanone IUPAC Name: 1-[4-[3-[[methyl(quinolin-5-ylmethyl)amino]methyl]phenoxy]piperidin-1-yl]-2-pyrazol-1-ylethanone Traditional Name: 1-[4-[3-[[methyl(5-quinolylmethyl)amino]methyl]phenoxy]piperidino]-2-pyrazol-1-yl-ethanone Formula: C28H31N5O2 MolecularWeight: 469.57804

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)OC2CCN(CC2)C(=O)CN3C=CC=N3)CC4=C5C=CC=NC5=CC=C4

Isomeric SMILES

CN(CC1=CC(=CC=C1)OC2CCN(CC2)C(=O)CN3C=CC=N3)CC4=C5C=CC=NC5=CC=C4

InChI

InChI=1S/C28H31N5O2/c1-31(20-23-7-3-10-27-26(23)9-4-13-29-27)19-22-6-2-8-25(18-22)35-24-11-16-32(17-12-24)28(34)21-33-15-5-14-30-33/h2-10,13-15,18,24H,11-12,16-17,19-21H2,1H3