1-[5-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]-1H-pyrrol-3-yl]ethanone

Systemtic Name: 1-[5-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]-1H-pyrrol-3-yl]ethanone Openeye Name: 1-[5-[4-(2-thienylmethyl)-1,4-diazepane-1-carbonyl]-1H-pyrrol-3-yl]ethanone CAS Name: 1-[5-[oxo-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1H-pyrrol-3-yl]ethanone IUPAC Name: 1-[5-[4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carbonyl]-1H-pyrrol-3-yl]ethanone Traditional Name: 1-[5-[4-(2-thenyl)-1,4-diazepane-1-carbonyl]-1H-pyrrol-3-yl]ethanone Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CNC(=C1)C(=O)N2CCCN(CC2)CC3=CC=CS3

Isomeric SMILES

CC(=O)C1=CNC(=C1)C(=O)N2CCCN(CC2)CC3=CC=CS3

InChI

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