1-[4-[[[2-(azocan-1-yl)pyridin-3-yl]methylamino]methyl]thiophen-2-yl]ethanone

Systemtic Name: 1-[4-[[[2-(azocan-1-yl)pyridin-3-yl]methylamino]methyl]thiophen-2-yl]ethanone Openeye Name: 1-[4-[[[2-(azocan-1-yl)-3-pyridyl]methylamino]methyl]-2-thienyl]ethanone CAS Name: 1-[4-[[[2-(1-azocanyl)-3-pyridinyl]methylamino]methyl]-2-thiophenyl]ethanone IUPAC Name: 1-[4-[[[2-(azocan-1-yl)pyridin-3-yl]methylamino]methyl]thiophen-2-yl]ethanone Traditional Name: 1-[4-[[[2-(azocan-1-yl)-3-pyridyl]methylamino]methyl]-2-thienyl]ethanone Formula: C20H27N3OS MolecularWeight: 357.51288

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)CNCC2=C(N=CC=C2)N3CCCCCCC3

Isomeric SMILES

CC(=O)C1=CC(=CS1)CNCC2=C(N=CC=C2)N3CCCCCCC3

InChI

InChI=1S/C20H27N3OS/c1-16(24)19-12-17(15-25-19)13-21-14-18-8-7-9-22-20(18)23-10-5-3-2-4-6-11-23/h7-9,12,15,21H,2-6,10-11,13-14H2,1H3