3-azanyl-5-[5-[(2,5-dimethoxyphenyl)methylamino]pentyl]-1H-pyrazole-4-carbonitrile; ethanedioic acid

Systemtic Name: 3-azanyl-5-[5-[(2,5-dimethoxyphenyl)methylamino]pentyl]-1H-pyrazole-4-carbonitrile; ethanedioic acid Openeye Name: 3-amino-5-[5-[(2,5-dimethoxyphenyl)methylamino]pentyl]-1H-pyrazole-4-carbonitrile; oxalic acid CAS Name: 3-amino-5-[5-[(2,5-dimethoxyphenyl)methylamino]pentyl]-1H-pyrazole-4-carbonitrile; oxalic acid IUPAC Name: 3-amino-5-[5-[(2,5-dimethoxyphenyl)methylamino]pentyl]-1H-pyrazole-4-carbonitrile; oxalic acid Traditional Name: 3-amino-5-[5-[(2,5-dimethoxybenzyl)amino]pentyl]-1H-pyrazole-4-carbonitrile; oxalic acid Formula: C20H27N5O6 MolecularWeight: 433.45828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CNCCCCCC2=C(C(=NN2)N)C#N.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CNCCCCCC2=C(C(=NN2)N)C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H25N5O2.C2H2O4/c1-24-14-7-8-17(25-2)13(10-14)12-21-9-5-3-4-6-16-15(11-19)18(20)23-22-16;3-1(4)2(5)6/h7-8,10,21H,3-6,9,12H2,1-2H3,(H3,20,22,23);(H,3,4)(H,5,6)