1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-2-thiophen-2-yl-ethanone

Systemtic Name: 1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]-2-(2-thienyl)ethanone CAS Name: 1-[4-(2-pyridinylmethyl)-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone IUPAC Name: 1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]-2-(2-thienyl)ethanone Formula: C17H21N3OS MolecularWeight: 315.43314

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC2=CC=CS2)CC3=CC=CC=N3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CC2=CC=CS2)CC3=CC=CC=N3

InChI

InChI=1S/C17H21N3OS/c21-17(13-16-6-3-12-22-16)20-9-4-8-19(10-11-20)14-15-5-1-2-7-18-15/h1-3,5-7,12H,4,8-11,13-14H2