3-[4-[[3-(benzimidazol-1-yl)propylamino]methyl]-3-phenyl-pyrazol-1-yl]propanenitrile; ethanedioic acid

Systemtic Name: 3-[4-[[3-(benzimidazol-1-yl)propylamino]methyl]-3-phenyl-pyrazol-1-yl]propanenitrile; ethanedioic acid Openeye Name: 3-[4-[[3-(benzimidazol-1-yl)propylamino]methyl]-3-phenyl-pyrazol-1-yl]propanenitrile; oxalic acid CAS Name: 3-[4-[[3-(1-benzimidazolyl)propylamino]methyl]-3-phenyl-1-pyrazolyl]propanenitrile; oxalic acid IUPAC Name: 3-[4-[[3-(benzimidazol-1-yl)propylamino]methyl]-3-phenylpyrazol-1-yl]propanenitrile; oxalic acid Traditional Name: 3-[4-[[3-(benzimidazol-1-yl)propylamino]methyl]-3-phenyl-pyrazol-1-yl]propionitrile; oxalic acid Formula: C25H26N6O4 MolecularWeight: 474.51174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2CNCCCN3C=NC4=CC=CC=C43)CCC#N.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2CNCCCN3C=NC4=CC=CC=C43)CCC#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H24N6.C2H2O4/c24-12-6-15-29-17-20(23(27-29)19-8-2-1-3-9-19)16-25-13-7-14-28-18-26-21-10-4-5-11-22(21)28;3-1(4)2(5)6/h1-5,8-11,17-18,25H,6-7,13-16H2;(H,3,4)(H,5,6)