(2-methoxypyridin-3-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (2-methoxypyridin-3-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (2-methoxy-3-pyridyl)-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (2-methoxy-3-pyridinyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (2-methoxypyridin-3-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (2-methoxy-3-pyridyl)-[4-(2-thenyl)-1,4-diazepan-1-yl]methanone Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=N1)C(=O)N2CCCN(CC2)CC3=CC=CS3

Isomeric SMILES

COC1=C(C=CC=N1)C(=O)N2CCCN(CC2)CC3=CC=CS3

InChI

InChI=1S/C17H21N3O2S/c1-22-16-15(6-2-7-18-16)17(21)20-9-4-8-19(10-11-20)13-14-5-3-12-23-14/h2-3,5-7,12H,4,8-11,13H2,1H3