3-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]-1H-pyridazin-6-one

Systemtic Name: 3-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]-1H-pyridazin-6-one Openeye Name: 3-[4-(2-thienylmethyl)-1,4-diazepane-1-carbonyl]-1H-pyridazin-6-one CAS Name: 3-[oxo-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carbonyl]-1H-pyridazin-6-one Traditional Name: 3-[4-(2-thenyl)-1,4-diazepane-1-carbonyl]-1H-pyridazin-6-one Formula: C15H18N4O2S MolecularWeight: 318.39402

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=NNC(=O)C=C2)CC3=CC=CS3

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=NNC(=O)C=C2)CC3=CC=CS3

InChI

InChI=1S/C15H18N4O2S/c20-14-5-4-13(16-17-14)15(21)19-7-2-6-18(8-9-19)11-12-3-1-10-22-12/h1,3-5,10H,2,6-9,11H2,(H,17,20)