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

Systemtic Name: 2-(3,5-dimethylpyrazol-1-yl)-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(3,5-dimethylpyrazol-1-yl)-1-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(3,5-dimethylpyrazol-1-yl)-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)-1-[4-(2-thenyl)-1,4-diazepan-1-yl]ethanone Formula: C17H24N4OS MolecularWeight: 332.46366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(=O)N2CCCN(CC2)CC3=CC=CS3)C

Isomeric SMILES

CC1=CC(=NN1CC(=O)N2CCCN(CC2)CC3=CC=CS3)C

InChI

InChI=1S/C17H24N4OS/c1-14-11-15(2)21(18-14)13-17(22)20-7-4-6-19(8-9-20)12-16-5-3-10-23-16/h3,5,10-11H,4,6-9,12-13H2,1-2H3