ethanedioic acid; 1-phenyl-4-[[1-(phenylmethyl)piperidin-4-yl]amino]cyclohexane-1-carbonitrile

Systemtic Name: ethanedioic acid; 1-phenyl-4-[[1-(phenylmethyl)piperidin-4-yl]amino]cyclohexane-1-carbonitrile Openeye Name: 4-[(1-benzyl-4-piperidyl)amino]-1-phenyl-cyclohexanecarbonitrile; oxalic acid CAS Name: oxalic acid; 1-phenyl-4-[[1-(phenylmethyl)-4-piperidinyl]amino]-1-cyclohexanecarbonitrile IUPAC Name: 4-[(1-benzylpiperidin-4-yl)amino]-1-phenylcyclohexane-1-carbonitrile; oxalic acid Traditional Name: 4-[(1-benzyl-4-piperidyl)amino]-1-phenyl-cyclohexanecarbonitrile; oxalic acid Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC2CCN(CC2)CC3=CC=CC=C3)(C#N)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(CCC1NC2CCN(CC2)CC3=CC=CC=C3)(C#N)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H31N3.C2H2O4/c26-20-25(22-9-5-2-6-10-22)15-11-23(12-16-25)27-24-13-17-28(18-14-24)19-21-7-3-1-4-8-21;3-1(4)2(5)6/h1-10,23-24,27H,11-19H2;(H,3,4)(H,5,6)