N-[4-methyl-5-[2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonyl-thiophen-2-yl]cyclopropanecarboxamide

Systemtic Name: N-[4-methyl-5-[2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonyl-thiophen-2-yl]cyclopropanecarboxamide Openeye Name: N-[4-methyl-5-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]-2-thienyl]cyclopropanecarboxamide CAS Name: N-[4-methyl-5-[[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-oxomethyl]-2-thiophenyl]cyclopropanecarboxamide IUPAC Name: N-[4-methyl-5-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide Traditional Name: N-[4-methyl-5-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]-2-thienyl]cyclopropanecarboxamide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C2CC2)C(=O)N3CCCCCC3C4=CC=CN4C

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)C2CC2)C(=O)N3CCCCCC3C4=CC=CN4C

InChI

InChI=1S/C21H27N3O2S/c1-14-13-18(22-20(25)15-9-10-15)27-19(14)21(26)24-12-5-3-4-7-17(24)16-8-6-11-23(16)2/h6,8,11,13,15,17H,3-5,7,9-10,12H2,1-2H3,(H,22,25)