N-[[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]-2-phenyl-ethanamine; ethanedioic acid

Systemtic Name: N-[[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]-2-phenyl-ethanamine; ethanedioic acid Openeye Name: N-[(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)methyl]-2-phenyl-ethanamine; oxalic acid CAS Name: N-[[5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolyl]methyl]-2-phenylethanamine; oxalic acid IUPAC Name: N-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]-2-phenylethanamine; oxalic acid Traditional Name: (5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)methyl-phenethyl-amine; oxalic acid Formula: C19H26ClN3O4 MolecularWeight: 395.88044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CNCCC2=CC=CC=C2)Cl)CC(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=NN(C(=C1CNCCC2=CC=CC=C2)Cl)CC(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H24ClN3.C2H2O4/c1-13(2)12-21-17(18)16(14(3)20-21)11-19-10-9-15-7-5-4-6-8-15;3-1(4)2(5)6/h4-8,13,19H,9-12H2,1-3H3;(H,3,4)(H,5,6)