1-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]-4-methyl-piperazine; methanesulfonic acid

Systemtic Name: 1-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]-4-methyl-piperazine; methanesulfonic acid Openeye Name: 1-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]-4-methyl-piperazine; methanesulfonic acid CAS Name: 1-[2-[(1,4-diphenyl-3-pyrazolyl)oxy]ethyl]-4-methylpiperazine; methanesulfonic acid IUPAC Name: 1-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]-4-methylpiperazine; methanesulfonic acid Traditional Name: 1-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]-4-methyl-piperazine; mesylic acid Formula: C24H34N4O7S2 MolecularWeight: 554.67936

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCOC2=NN(C=C2C3=CC=CC=C3)C4=CC=CC=C4.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

CN1CCN(CC1)CCOC2=NN(C=C2C3=CC=CC=C3)C4=CC=CC=C4.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C22H26N4O.2CH4O3S/c1-24-12-14-25(15-13-24)16-17-27-22-21(19-8-4-2-5-9-19)18-26(23-22)20-10-6-3-7-11-20;2*1-5(2,3)4/h2-11,18H,12-17H2,1H3;2*1H3,(H,2,3,4)