6-[4-(1H-imidazol-5-ylsulfonyl)-1,4-diazepan-1-yl]-2-(4-methylphenyl)pyridazin-3-one

Systemtic Name: 6-[4-(1H-imidazol-5-ylsulfonyl)-1,4-diazepan-1-yl]-2-(4-methylphenyl)pyridazin-3-one Openeye Name: 6-[4-(1H-imidazol-5-ylsulfonyl)-1,4-diazepan-1-yl]-2-(p-tolyl)pyridazin-3-one CAS Name: 6-[4-(1H-imidazol-5-ylsulfonyl)-1,4-diazepan-1-yl]-2-(4-methylphenyl)-3-pyridazinone IUPAC Name: 6-[4-(1H-imidazol-5-ylsulfonyl)-1,4-diazepan-1-yl]-2-(4-methylphenyl)pyridazin-3-one Traditional Name: 6-[4-(1H-imidazol-5-ylsulfonyl)-1,4-diazepan-1-yl]-2-(p-tolyl)pyridazin-3-one Formula: C19H22N6O3S MolecularWeight: 414.48138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C=CC(=N2)N3CCCN(CC3)S(=O)(=O)C4=CN=CN4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C=CC(=N2)N3CCCN(CC3)S(=O)(=O)C4=CN=CN4

InChI

InChI=1S/C19H22N6O3S/c1-15-3-5-16(6-4-15)25-19(26)8-7-17(22-25)23-9-2-10-24(12-11-23)29(27,28)18-13-20-14-21-18/h3-8,13-14H,2,9-12H2,1H3,(H,20,21)