2-(3,4-dimethylphenyl)-6-[4-(phenylsulfonyl)-1,4-diazepan-1-yl]pyridazin-3-one

Systemtic Name: 2-(3,4-dimethylphenyl)-6-[4-(phenylsulfonyl)-1,4-diazepan-1-yl]pyridazin-3-one Openeye Name: 6-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one CAS Name: 6-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-2-(3,4-dimethylphenyl)-3-pyridazinone IUPAC Name: 6-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one Traditional Name: 6-(4-besyl-1,4-diazepan-1-yl)-2-(3,4-dimethylphenyl)pyridazin-3-one Formula: C23H26N4O3S MolecularWeight: 438.54254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O3S/c1-18-9-10-20(17-19(18)2)27-23(28)12-11-22(24-27)25-13-6-14-26(16-15-25)31(29,30)21-7-4-3-5-8-21/h3-5,7-12,17H,6,13-16H2,1-2H3