3-azanyl-5-[3-[(4-cyano-4-phenyl-cyclohexyl)amino]propyl]-1H-pyrazole-4-carbonitrile; ethanedioic acid

Systemtic Name: 3-azanyl-5-[3-[(4-cyano-4-phenyl-cyclohexyl)amino]propyl]-1H-pyrazole-4-carbonitrile; ethanedioic acid Openeye Name: 3-amino-5-[3-[(4-cyano-4-phenyl-cyclohexyl)amino]propyl]-1H-pyrazole-4-carbonitrile; oxalic acid CAS Name: 3-amino-5-[3-[(4-cyano-4-phenylcyclohexyl)amino]propyl]-1H-pyrazole-4-carbonitrile; oxalic acid IUPAC Name: 3-amino-5-[3-[(4-cyano-4-phenylcyclohexyl)amino]propyl]-1H-pyrazole-4-carbonitrile; oxalic acid Traditional Name: 3-amino-5-[3-[(4-cyano-4-phenyl-cyclohexyl)amino]propyl]-1H-pyrazole-4-carbonitrile; oxalic acid Formula: C22H26N6O4 MolecularWeight: 438.47964

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NCCCC2=C(C(=NN2)N)C#N)(C#N)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(CCC1NCCCC2=C(C(=NN2)N)C#N)(C#N)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H24N6.C2H2O4/c21-13-17-18(25-26-19(17)23)7-4-12-24-16-8-10-20(14-22,11-9-16)15-5-2-1-3-6-15;3-1(4)2(5)6/h1-3,5-6,16,24H,4,7-12H2,(H3,23,25,26);(H,3,4)(H,5,6)