1-[4-[4-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]piperidin-1-yl]-2-thiophen-3-yl-ethanone

Systemtic Name: 1-[4-[4-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]piperidin-1-yl]-2-thiophen-3-yl-ethanone Openeye Name: 1-[4-[4-[[methyl(6-quinolylmethyl)amino]methyl]phenoxy]-1-piperidyl]-2-(3-thienyl)ethanone CAS Name: 1-[4-[4-[[methyl(6-quinolinylmethyl)amino]methyl]phenoxy]-1-piperidinyl]-2-(3-thiophenyl)ethanone IUPAC Name: 1-[4-[4-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]piperidin-1-yl]-2-thiophen-3-ylethanone Traditional Name: 1-[4-[4-[[methyl(6-quinolylmethyl)amino]methyl]phenoxy]piperidino]-2-(3-thienyl)ethanone Formula: C29H31N3O2S MolecularWeight: 485.64034

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)OC2CCN(CC2)C(=O)CC3=CSC=C3)CC4=CC5=C(C=C4)N=CC=C5

Isomeric SMILES

CN(CC1=CC=C(C=C1)OC2CCN(CC2)C(=O)CC3=CSC=C3)CC4=CC5=C(C=C4)N=CC=C5

InChI

InChI=1S/C29H31N3O2S/c1-31(20-23-6-9-28-25(17-23)3-2-13-30-28)19-22-4-7-26(8-5-22)34-27-10-14-32(15-11-27)29(33)18-24-12-16-35-21-24/h2-9,12-13,16-17,21,27H,10-11,14-15,18-20H2,1H3