1-[5-[2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonylthiophen-2-yl]ethanone

Systemtic Name: 1-[5-[2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonylthiophen-2-yl]ethanone Openeye Name: 1-[5-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]-2-thienyl]ethanone CAS Name: 1-[5-[[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-oxomethyl]-2-thiophenyl]ethanone IUPAC Name: 1-[5-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]thiophen-2-yl]ethanone Traditional Name: 1-[5-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]-2-thienyl]ethanone Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(S1)C(=O)N2CCCCCC2C3=CC=CN3C

Isomeric SMILES

CC(=O)C1=CC=C(S1)C(=O)N2CCCCCC2C3=CC=CN3C

InChI

InChI=1S/C18H22N2O2S/c1-13(21)16-9-10-17(23-16)18(22)20-12-5-3-4-7-15(20)14-8-6-11-19(14)2/h6,8-11,15H,3-5,7,12H2,1-2H3