2-(cyclopropylmethyl)-4-[(4-methylpiperazin-1-yl)methyl]-6-(4-methylsulfonylphenyl)pyridazin-3-one

Systemtic Name: 2-(cyclopropylmethyl)-4-[(4-methylpiperazin-1-yl)methyl]-6-(4-methylsulfonylphenyl)pyridazin-3-one Openeye Name: 2-(cyclopropylmethyl)-4-[(4-methylpiperazin-1-yl)methyl]-6-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 2-(cyclopropylmethyl)-4-[(4-methyl-1-piperazinyl)methyl]-6-(4-methylsulfonylphenyl)-3-pyridazinone IUPAC Name: 2-(cyclopropylmethyl)-4-[(4-methylpiperazin-1-yl)methyl]-6-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-(cyclopropylmethyl)-6-(4-mesylphenyl)-4-[(4-methylpiperazino)methyl]pyridazin-3-one Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC(=NN(C2=O)CC3CC3)C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CN1CCN(CC1)CC2=CC(=NN(C2=O)CC3CC3)C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C21H28N4O3S/c1-23-9-11-24(12-10-23)15-18-13-20(22-25(21(18)26)14-16-3-4-16)17-5-7-19(8-6-17)29(2,27)28/h5-8,13,16H,3-4,9-12,14-15H2,1-2H3