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

Systemtic Name: 1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone Openeye Name: 1-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone CAS Name: 1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]-2-(1,3,5-trimethyl-4-pyrazolyl)ethanone IUPAC Name: 1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone Traditional Name: 1-[4-(2-thenyl)-1,4-diazepan-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone Formula: C18H26N4OS MolecularWeight: 346.49024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CC(=O)N2CCCN(CC2)CC3=CC=CS3

Isomeric SMILES

CC1=C(C(=NN1C)C)CC(=O)N2CCCN(CC2)CC3=CC=CS3

InChI

InChI=1S/C18H26N4OS/c1-14-17(15(2)20(3)19-14)12-18(23)22-8-5-7-21(9-10-22)13-16-6-4-11-24-16/h4,6,11H,5,7-10,12-13H2,1-3H3