[4-[4-[[1-benzothiophen-2-ylmethyl(methyl)amino]methyl]phenoxy]piperidin-1-yl]-pyridin-2-yl-methanone

Systemtic Name: [4-[4-[[1-benzothiophen-2-ylmethyl(methyl)amino]methyl]phenoxy]piperidin-1-yl]-pyridin-2-yl-methanone Openeye Name: [4-[4-[[benzothiophen-2-ylmethyl(methyl)amino]methyl]phenoxy]-1-piperidyl]-(2-pyridyl)methanone CAS Name: [4-[4-[[1-benzothiophen-2-ylmethyl(methyl)amino]methyl]phenoxy]-1-piperidinyl]-(2-pyridinyl)methanone IUPAC Name: [4-[4-[[1-benzothiophen-2-ylmethyl(methyl)amino]methyl]phenoxy]piperidin-1-yl]-pyridin-2-ylmethanone Traditional Name: [4-[4-[[benzothiophen-2-ylmethyl(methyl)amino]methyl]phenoxy]piperidino]-(2-pyridyl)methanone Formula: C28H29N3O2S MolecularWeight: 471.61376

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)OC2CCN(CC2)C(=O)C3=CC=CC=N3)CC4=CC5=CC=CC=C5S4

Isomeric SMILES

CN(CC1=CC=C(C=C1)OC2CCN(CC2)C(=O)C3=CC=CC=N3)CC4=CC5=CC=CC=C5S4

InChI

InChI=1S/C28H29N3O2S/c1-30(20-25-18-22-6-2-3-8-27(22)34-25)19-21-9-11-23(12-10-21)33-24-13-16-31(17-14-24)28(32)26-7-4-5-15-29-26/h2-12,15,18,24H,13-14,16-17,19-20H2,1H3