1-[4-[[[(3R)-1-cyclohexylpiperidin-3-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]thiophen-2-yl]ethanone

Systemtic Name: 1-[4-[[[(3R)-1-cyclohexylpiperidin-3-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]thiophen-2-yl]ethanone Openeye Name: 1-[4-[[[(3R)-1-cyclohexyl-3-piperidyl]methyl-(3-pyridylmethyl)amino]methyl]-2-thienyl]ethanone CAS Name: 1-[4-[[[(3R)-1-cyclohexyl-3-piperidinyl]methyl-(3-pyridinylmethyl)amino]methyl]-2-thiophenyl]ethanone IUPAC Name: 1-[4-[[[(3R)-1-cyclohexylpiperidin-3-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]thiophen-2-yl]ethanone Traditional Name: 1-[4-[[[(3R)-1-cyclohexyl-3-piperidyl]methyl-(3-pyridylmethyl)amino]methyl]-2-thienyl]ethanone Formula: C25H35N3OS MolecularWeight: 425.6299

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)CN(CC2CCCN(C2)C3CCCCC3)CC4=CN=CC=C4

Isomeric SMILES

CC(=O)C1=CC(=CS1)CN(C[C@H]2CCCN(C2)C3CCCCC3)CC4=CN=CC=C4

InChI

InChI=1S/C25H35N3OS/c1-20(29)25-13-23(19-30-25)17-27(15-21-7-5-11-26-14-21)16-22-8-6-12-28(18-22)24-9-3-2-4-10-24/h5,7,11,13-14,19,22,24H,2-4,6,8-10,12,15-18H2,1H3/t22-/m1/s1