3-[4-(phenylmethyl)sulfonylpiperazin-1-yl]-6-(3,4,5-trimethylpyrazol-1-yl)pyridazine

Systemtic Name: 3-[4-(phenylmethyl)sulfonylpiperazin-1-yl]-6-(3,4,5-trimethylpyrazol-1-yl)pyridazine Openeye Name: 3-(4-benzylsulfonylpiperazin-1-yl)-6-(3,4,5-trimethylpyrazol-1-yl)pyridazine CAS Name: 3-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-6-(3,4,5-trimethyl-1-pyrazolyl)pyridazine IUPAC Name: 3-(4-benzylsulfonylpiperazin-1-yl)-6-(3,4,5-trimethylpyrazol-1-yl)pyridazine Traditional Name: 3-(4-benzylsulfonylpiperazino)-6-(3,4,5-trimethylpyrazol-1-yl)pyridazine Formula: C21H26N6O2S MolecularWeight: 426.53514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C)C2=NN=C(C=C2)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(N=C1C)C2=NN=C(C=C2)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C21H26N6O2S/c1-16-17(2)24-27(18(16)3)21-10-9-20(22-23-21)25-11-13-26(14-12-25)30(28,29)15-19-7-5-4-6-8-19/h4-10H,11-15H2,1-3H3