6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-2-(2,5-dimethylphenyl)-4,5-dihydropyridazin-3-one

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-2-(2,5-dimethylphenyl)-4,5-dihydropyridazin-3-one Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-(2,5-dimethylphenyl)-4,5-dihydropyridazin-3-one CAS Name: 6-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-2-(2,5-dimethylphenyl)-4,5-dihydropyridazin-3-one IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-(2,5-dimethylphenyl)-4,5-dihydropyridazin-3-one Traditional Name: 2-(2,5-dimethylphenyl)-6-(4-piperonylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one Formula: C25H28N4O4 MolecularWeight: 448.51422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)CCC(=N2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)CCC(=N2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H28N4O4/c1-17-3-4-18(2)21(13-17)29-24(30)8-6-20(26-29)25(31)28-11-9-27(10-12-28)15-19-5-7-22-23(14-19)33-16-32-22/h3-5,7,13-14H,6,8-12,15-16H2,1-2H3