N-[3-(1,4-diphenylpyrazol-3-yl)oxypropyl]-2-methyl-propan-2-amine; methanesulfonic acid

Systemtic Name: N-[3-(1,4-diphenylpyrazol-3-yl)oxypropyl]-2-methyl-propan-2-amine; methanesulfonic acid Openeye Name: N-[3-(1,4-diphenylpyrazol-3-yl)oxypropyl]-2-methyl-propan-2-amine; methanesulfonic acid CAS Name: N-[3-[(1,4-diphenyl-3-pyrazolyl)oxy]propyl]-2-methyl-2-propanamine; methanesulfonic acid IUPAC Name: N-[3-(1,4-diphenylpyrazol-3-yl)oxypropyl]-2-methylpropan-2-amine; methanesulfonic acid Traditional Name: tert-butyl-[3-(1,4-diphenylpyrazol-3-yl)oxypropyl]amine; mesylic acid Formula: C23H31N3O4S MolecularWeight: 445.57494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCCCOC1=NN(C=C1C2=CC=CC=C2)C3=CC=CC=C3.CS(=O)(=O)O

Isomeric SMILES

CC(C)(C)NCCCOC1=NN(C=C1C2=CC=CC=C2)C3=CC=CC=C3.CS(=O)(=O)O

InChI

InChI=1S/C22H27N3O.CH4O3S/c1-22(2,3)23-15-10-16-26-21-20(18-11-6-4-7-12-18)17-25(24-21)19-13-8-5-9-14-19;1-5(2,3)4/h4-9,11-14,17,23H,10,15-16H2,1-3H3;1H3,(H,2,3,4)