4-[[5-chloranyl-1-(2,5-dimethylphenyl)-3-methyl-pyrazol-4-yl]methylamino]cyclohexan-1-ol; ethanedioic acid

Systemtic Name: 4-[[5-chloranyl-1-(2,5-dimethylphenyl)-3-methyl-pyrazol-4-yl]methylamino]cyclohexan-1-ol; ethanedioic acid Openeye Name: 4-[[5-chloro-1-(2,5-dimethylphenyl)-3-methyl-pyrazol-4-yl]methylamino]cyclohexanol; oxalic acid CAS Name: 4-[[5-chloro-1-(2,5-dimethylphenyl)-3-methyl-4-pyrazolyl]methylamino]-1-cyclohexanol; oxalic acid IUPAC Name: 4-[[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylamino]cyclohexan-1-ol; oxalic acid Traditional Name: 4-[[5-chloro-1-(2,5-dimethylphenyl)-3-methyl-pyrazol-4-yl]methylamino]cyclohexanol; oxalic acid Formula: C21H28ClN3O5 MolecularWeight: 437.91712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=C(C(=N2)C)CNC3CCC(CC3)O)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=C(C(=N2)C)CNC3CCC(CC3)O)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H26ClN3O.C2H2O4/c1-12-4-5-13(2)18(10-12)23-19(20)17(14(3)22-23)11-21-15-6-8-16(24)9-7-15;3-1(4)2(5)6/h4-5,10,15-16,21,24H,6-9,11H2,1-3H3;(H,3,4)(H,5,6)