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

Systemtic Name: N-[[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]-1-phenyl-methanamine; ethanedioic acid Openeye Name: N-[(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)methyl]-1-phenyl-methanamine; oxalic acid CAS Name: N-[[5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolyl]methyl]-1-phenylmethanamine; oxalic acid IUPAC Name: N-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]-1-phenylmethanamine; oxalic acid Traditional Name: benzyl-[(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)methyl]amine; oxalic acid Formula: C18H24ClN3O4 MolecularWeight: 381.85386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CNCC2=CC=CC=C2)Cl)CC(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=NN(C(=C1CNCC2=CC=CC=C2)Cl)CC(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H22ClN3.C2H2O4/c1-12(2)11-20-16(17)15(13(3)19-20)10-18-9-14-7-5-4-6-8-14;3-1(4)2(5)6/h4-8,12,18H,9-11H2,1-3H3;(H,3,4)(H,5,6)