2-methyl-6-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]-4,5-dihydropyridazin-3-one

Systemtic Name: 2-methyl-6-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]-4,5-dihydropyridazin-3-one Openeye Name: 2-methyl-6-[4-(2-thienylmethyl)-1,4-diazepane-1-carbonyl]-4,5-dihydropyridazin-3-one CAS Name: 2-methyl-6-[oxo-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-4,5-dihydropyridazin-3-one IUPAC Name: 2-methyl-6-[4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carbonyl]-4,5-dihydropyridazin-3-one Traditional Name: 2-methyl-6-[4-(2-thenyl)-1,4-diazepane-1-carbonyl]-4,5-dihydropyridazin-3-one Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CCC(=N1)C(=O)N2CCCN(CC2)CC3=CC=CS3

Isomeric SMILES

CN1C(=O)CCC(=N1)C(=O)N2CCCN(CC2)CC3=CC=CS3

InChI

InChI=1S/C16H22N4O2S/c1-18-15(21)6-5-14(17-18)16(22)20-8-3-7-19(9-10-20)12-13-4-2-11-23-13/h2,4,11H,3,5-10,12H2,1H3