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

Systemtic Name: N-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-1-phenyl-methanamine; ethanedioic acid Openeye Name: N-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-1-phenyl-methanamine; oxalic acid CAS Name: N-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl]-1-phenylmethanamine; oxalic acid IUPAC Name: N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1-phenylmethanamine; oxalic acid Traditional Name: benzyl-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]amine; oxalic acid Formula: C20H20ClN3O4 MolecularWeight: 401.8435

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CNCC2=CC=CC=C2)Cl)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=NN(C(=C1CNCC2=CC=CC=C2)Cl)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H18ClN3.C2H2O4/c1-14-17(13-20-12-15-8-4-2-5-9-15)18(19)22(21-14)16-10-6-3-7-11-16;3-1(4)2(5)6/h2-11,20H,12-13H2,1H3;(H,3,4)(H,5,6)