2-[(2,5-dimethylphenyl)methyl]-6-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)pyridazin-3-one

Systemtic Name: 2-[(2,5-dimethylphenyl)methyl]-6-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)pyridazin-3-one Openeye Name: 2-[(2,5-dimethylphenyl)methyl]-6-[4-methyl-3-(1-piperidylsulfonyl)phenyl]pyridazin-3-one CAS Name: 2-[(2,5-dimethylphenyl)methyl]-6-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-3-pyridazinone IUPAC Name: 2-[(2,5-dimethylphenyl)methyl]-6-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-(2,5-dimethylbenzyl)-6-(4-methyl-3-piperidinosulfonyl-phenyl)pyridazin-3-one Formula: C25H29N3O3S MolecularWeight: 451.58106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C(=O)C=CC(=N2)C3=CC(=C(C=C3)C)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C(=O)C=CC(=N2)C3=CC(=C(C=C3)C)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H29N3O3S/c1-18-7-8-19(2)22(15-18)17-28-25(29)12-11-23(26-28)21-10-9-20(3)24(16-21)32(30,31)27-13-5-4-6-14-27/h7-12,15-16H,4-6,13-14,17H2,1-3H3