N-(1-pyrazol-1-ylpropan-2-yl)-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-(1-pyrazol-1-ylpropan-2-yl)-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide Openeye Name: N-(1-methyl-2-pyrazol-1-yl-ethyl)-4-(2-thienylmethyl)-1,4-diazepane-1-carboxamide CAS Name: N-[1-(1-pyrazolyl)propan-2-yl]-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(1-pyrazol-1-ylpropan-2-yl)-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide Traditional Name: N-(1-methyl-2-pyrazol-1-yl-ethyl)-4-(2-thenyl)-1,4-diazepane-1-carboxamide Formula: C17H25N5OS MolecularWeight: 347.4783

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=CC=N1)NC(=O)N2CCCN(CC2)CC3=CC=CS3

Isomeric SMILES

CC(CN1C=CC=N1)NC(=O)N2CCCN(CC2)CC3=CC=CS3

InChI

InChI=1S/C17H25N5OS/c1-15(13-22-9-3-6-18-22)19-17(23)21-8-4-7-20(10-11-21)14-16-5-2-12-24-16/h2-3,5-6,9,12,15H,4,7-8,10-11,13-14H2,1H3,(H,19,23)