ethanedioic acid; 3-[[[phenyl(pyridin-2-yl)methyl]amino]methyl]benzenecarbonitrile

Systemtic Name: ethanedioic acid; 3-[[[phenyl(pyridin-2-yl)methyl]amino]methyl]benzenecarbonitrile Openeye Name: oxalic acid; 3-[[[phenyl(2-pyridyl)methyl]amino]methyl]benzonitrile CAS Name: oxalic acid; 3-[[[phenyl(2-pyridinyl)methyl]amino]methyl]benzonitrile IUPAC Name: oxalic acid; 3-[[[phenyl(pyridin-2-yl)methyl]amino]methyl]benzonitrile Traditional Name: oxalic acid; 3-[[[phenyl(2-pyridyl)methyl]amino]methyl]benzonitrile Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=N2)NCC3=CC=CC(=C3)C#N.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=N2)NCC3=CC=CC(=C3)C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H17N3.C2H2O4/c21-14-16-7-6-8-17(13-16)15-23-20(18-9-2-1-3-10-18)19-11-4-5-12-22-19;3-1(4)2(5)6/h1-13,20,23H,15H2;(H,3,4)(H,5,6)