1-[4-[[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]carbonyl]-1,4-diazepan-1-yl]ethanone

Systemtic Name: 1-[4-[[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]carbonyl]-1,4-diazepan-1-yl]ethanone Openeye Name: 1-[4-[5-(5-methyl-2-thienyl)-1H-pyrazole-3-carbonyl]-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-[[5-(5-methyl-2-thiophenyl)-1H-pyrazol-3-yl]-oxomethyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-[4-[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 1-[4-[5-(5-methyl-2-thienyl)-1H-pyrazole-3-carbonyl]-1,4-diazepan-1-yl]ethanone Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CC(=NN2)C(=O)N3CCCN(CC3)C(=O)C

Isomeric SMILES

CC1=CC=C(S1)C2=CC(=NN2)C(=O)N3CCCN(CC3)C(=O)C

InChI

InChI=1S/C16H20N4O2S/c1-11-4-5-15(23-11)13-10-14(18-17-13)16(22)20-7-3-6-19(8-9-20)12(2)21/h4-5,10H,3,6-9H2,1-2H3,(H,17,18)