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

Systemtic Name: 1-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-4-methyl-piperazine; ethanedioic acid Openeye Name: 1-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-4-methyl-piperazine; oxalic acid CAS Name: 1-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl]-4-methylpiperazine; oxalic acid IUPAC Name: 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-4-methylpiperazine; oxalic acid Traditional Name: 1-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-4-methyl-piperazine; oxalic acid Formula: C18H23ClN4O4 MolecularWeight: 394.85262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CCN(CC2)C)Cl)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=NN(C(=C1CN2CCN(CC2)C)Cl)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H21ClN4.C2H2O4/c1-13-15(12-20-10-8-19(2)9-11-20)16(17)21(18-13)14-6-4-3-5-7-14;3-1(4)2(5)6/h3-7H,8-12H2,1-2H3;(H,3,4)(H,5,6)