1-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone

Systemtic Name: 1-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone Openeye Name: 1-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]-2-[3-(2-thienyl)pyrazol-1-yl]ethanone CAS Name: 1-[4-(2-thiazolylmethyl)-1,4-diazepan-1-yl]-2-(3-thiophen-2-yl-1-pyrazolyl)ethanone IUPAC Name: 1-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone Traditional Name: 1-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]-2-[3-(2-thienyl)pyrazol-1-yl]ethanone Formula: C18H21N5OS2 MolecularWeight: 387.52224

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CN2C=CC(=N2)C3=CC=CS3)CC4=NC=CS4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CN2C=CC(=N2)C3=CC=CS3)CC4=NC=CS4

InChI

InChI=1S/C18H21N5OS2/c24-18(14-23-8-4-15(20-23)16-3-1-11-25-16)22-7-2-6-21(9-10-22)13-17-19-5-12-26-17/h1,3-5,8,11-12H,2,6-7,9-10,13-14H2