4-[[[6-(diphenylmethyl)piperidin-3-yl]amino]methyl]benzenecarbonitrile; ethanedioic acid

Systemtic Name: 4-[[[6-(diphenylmethyl)piperidin-3-yl]amino]methyl]benzenecarbonitrile; ethanedioic acid Openeye Name: 4-[[(6-benzhydryl-3-piperidyl)amino]methyl]benzonitrile; oxalic acid CAS Name: 4-[[[6-(diphenylmethyl)-3-piperidinyl]amino]methyl]benzonitrile; oxalic acid IUPAC Name: 4-[[(6-benzhydrylpiperidin-3-yl)amino]methyl]benzonitrile; oxalic acid Traditional Name: 4-[[(6-benzhydryl-3-piperidyl)amino]methyl]benzonitrile; oxalic acid Formula: C28H29N3O4 MolecularWeight: 471.54756

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NCC1NCC2=CC=C(C=C2)C#N)C(C3=CC=CC=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(NCC1NCC2=CC=C(C=C2)C#N)C(C3=CC=CC=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H27N3.C2H2O4/c27-17-20-11-13-21(14-12-20)18-28-24-15-16-25(29-19-24)26(22-7-3-1-4-8-22)23-9-5-2-6-10-23;3-1(4)2(5)6/h1-14,24-26,28-29H,15-16,18-19H2;(H,3,4)(H,5,6)