N-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]butan-1-amine; methanesulfonic acid

Systemtic Name: N-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]butan-1-amine; methanesulfonic acid Openeye Name: N-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]butan-1-amine; methanesulfonic acid CAS Name: N-[2-[(1,4-diphenyl-3-pyrazolyl)oxy]ethyl]-1-butanamine; methanesulfonic acid IUPAC Name: N-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]butan-1-amine; methanesulfonic acid Traditional Name: butyl-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]amine; mesylic acid Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCCOC1=NN(C=C1C2=CC=CC=C2)C3=CC=CC=C3.CS(=O)(=O)O

Isomeric SMILES

CCCCNCCOC1=NN(C=C1C2=CC=CC=C2)C3=CC=CC=C3.CS(=O)(=O)O

InChI

InChI=1S/C21H25N3O.CH4O3S/c1-2-3-14-22-15-16-25-21-20(18-10-6-4-7-11-18)17-24(23-21)19-12-8-5-9-13-19;1-5(2,3)4/h4-13,17,22H,2-3,14-16H2,1H3;1H3,(H,2,3,4)