1,5-dimethyl-4-[[[1-(phenylmethyl)piperidin-4-yl]amino]methyl]pyrrole-2-carbonitrile; ethanedioic acid

Systemtic Name: 1,5-dimethyl-4-[[[1-(phenylmethyl)piperidin-4-yl]amino]methyl]pyrrole-2-carbonitrile; ethanedioic acid Openeye Name: 4-[[(1-benzyl-4-piperidyl)amino]methyl]-1,5-dimethyl-pyrrole-2-carbonitrile; oxalic acid CAS Name: 1,5-dimethyl-4-[[[1-(phenylmethyl)-4-piperidinyl]amino]methyl]-2-pyrrolecarbonitrile; oxalic acid IUPAC Name: 4-[[(1-benzylpiperidin-4-yl)amino]methyl]-1,5-dimethylpyrrole-2-carbonitrile; oxalic acid Traditional Name: 4-[[(1-benzyl-4-piperidyl)amino]methyl]-1,5-dimethyl-pyrrole-2-carbonitrile; oxalic acid Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C)C#N)CNC2CCN(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=C(N1C)C#N)CNC2CCN(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H26N4.C2H2O4/c1-16-18(12-20(13-21)23(16)2)14-22-19-8-10-24(11-9-19)15-17-6-4-3-5-7-17;3-1(4)2(5)6/h3-7,12,19,22H,8-11,14-15H2,1-2H3;(H,3,4)(H,5,6)