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

Systemtic Name: N-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-2-phenyl-ethanamine; ethanedioic acid Openeye Name: N-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-2-phenyl-ethanamine; oxalic acid CAS Name: N-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl]-2-phenylethanamine; oxalic acid IUPAC Name: N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-2-phenylethanamine; oxalic acid Traditional Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl-phenethyl-amine; oxalic acid Formula: C21H22ClN3O4 MolecularWeight: 415.87008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CNCCC2=CC=CC=C2)Cl)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=NN(C(=C1CNCCC2=CC=CC=C2)Cl)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H20ClN3.C2H2O4/c1-15-18(14-21-13-12-16-8-4-2-5-9-16)19(20)23(22-15)17-10-6-3-7-11-17;3-1(4)2(5)6/h2-11,21H,12-14H2,1H3;(H,3,4)(H,5,6)