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

Systemtic Name: 1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone Openeye Name: 1-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]-2-[3-(2-thienyl)pyrazol-1-yl]ethanone CAS Name: 1-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]-2-(3-thiophen-2-yl-1-pyrazolyl)ethanone IUPAC Name: 1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone Traditional Name: 1-[4-(3-thenyl)-1,4-diazepan-1-yl]-2-[3-(2-thienyl)pyrazol-1-yl]ethanone Formula: C19H22N4OS2 MolecularWeight: 386.53418

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CN2C=CC(=N2)C3=CC=CS3)CC4=CSC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CN2C=CC(=N2)C3=CC=CS3)CC4=CSC=C4

InChI

InChI=1S/C19H22N4OS2/c24-19(14-23-8-4-17(20-23)18-3-1-11-26-18)22-7-2-6-21(9-10-22)13-16-5-12-25-15-16/h1,3-5,8,11-12,15H,2,6-7,9-10,13-14H2