2-pyrazol-1-yl-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-pyrazol-1-yl-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-pyrazol-1-yl-1-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(1-pyrazolyl)-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-pyrazol-1-yl-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-pyrazol-1-yl-1-[4-(2-thenyl)-1,4-diazepan-1-yl]ethanone Formula: C15H20N4OS MolecularWeight: 304.4105

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CN2C=CC=N2)CC3=CC=CS3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CN2C=CC=N2)CC3=CC=CS3

InChI

InChI=1S/C15H20N4OS/c20-15(13-19-8-2-5-16-19)18-7-3-6-17(9-10-18)12-14-4-1-11-21-14/h1-2,4-5,8,11H,3,6-7,9-10,12-13H2