2-(2,5-dimethylphenyl)-6-[(4-methylsulfonyl-1,4-diazepan-1-yl)carbonyl]-4,5-dihydropyridazin-3-one

Systemtic Name: 2-(2,5-dimethylphenyl)-6-[(4-methylsulfonyl-1,4-diazepan-1-yl)carbonyl]-4,5-dihydropyridazin-3-one Openeye Name: 2-(2,5-dimethylphenyl)-6-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)-4,5-dihydropyridazin-3-one CAS Name: 2-(2,5-dimethylphenyl)-6-[(4-methylsulfonyl-1,4-diazepan-1-yl)-oxomethyl]-4,5-dihydropyridazin-3-one IUPAC Name: 2-(2,5-dimethylphenyl)-6-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)-4,5-dihydropyridazin-3-one Traditional Name: 2-(2,5-dimethylphenyl)-6-(4-mesyl-1,4-diazepane-1-carbonyl)-4,5-dihydropyridazin-3-one Formula: C19H26N4O4S MolecularWeight: 406.49914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)CCC(=N2)C(=O)N3CCCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)CCC(=N2)C(=O)N3CCCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C19H26N4O4S/c1-14-5-6-15(2)17(13-14)23-18(24)8-7-16(20-23)19(25)21-9-4-10-22(12-11-21)28(3,26)27/h5-6,13H,4,7-12H2,1-3H3