N,N-dimethyl-3-[1-(4-methylphenyl)-4-phenyl-pyrazol-3-yl]oxy-propan-1-amine; methanesulfonic acid

Systemtic Name: N,N-dimethyl-3-[1-(4-methylphenyl)-4-phenyl-pyrazol-3-yl]oxy-propan-1-amine; methanesulfonic acid Openeye Name: N,N-dimethyl-3-[4-phenyl-1-(p-tolyl)pyrazol-3-yl]oxy-propan-1-amine; methanesulfonic acid CAS Name: N,N-dimethyl-3-[[1-(4-methylphenyl)-4-phenyl-3-pyrazolyl]oxy]-1-propanamine; methanesulfonic acid IUPAC Name: N,N-dimethyl-3-[1-(4-methylphenyl)-4-phenylpyrazol-3-yl]oxypropan-1-amine; methanesulfonic acid Traditional Name: dimethyl-[3-[4-phenyl-1-(p-tolyl)pyrazol-3-yl]oxypropyl]amine; mesylic acid Formula: C22H29N3O4S MolecularWeight: 431.54836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(C(=N2)OCCCN(C)C)C3=CC=CC=C3.CS(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C(=N2)OCCCN(C)C)C3=CC=CC=C3.CS(=O)(=O)O

InChI

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