1-(1-cyanocyclopropyl)carbonyl-N-[2-(4-ethylphenyl)ethyl]-4-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-(1-cyanocyclopropyl)carbonyl-N-[2-(4-ethylphenyl)ethyl]-4-(phenylmethyl)piperidine-4-carboxamide Openeye Name: 4-benzyl-1-(1-cyanocyclopropanecarbonyl)-N-[2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide CAS Name: 1-[(1-cyanocyclopropyl)-oxomethyl]-N-[2-(4-ethylphenyl)ethyl]-4-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: 4-benzyl-1-(1-cyanocyclopropanecarbonyl)-N-[2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide Traditional Name: 4-benzyl-1-(1-cyanocyclopropanecarbonyl)-N-[2-(4-ethylphenyl)ethyl]isonipecotamide Formula: C28H33N3O2 MolecularWeight: 443.58052

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CCNC(=O)C2(CCN(CC2)C(=O)C3(CC3)C#N)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)CCNC(=O)C2(CCN(CC2)C(=O)C3(CC3)C#N)CC4=CC=CC=C4

InChI

InChI=1S/C28H33N3O2/c1-2-22-8-10-23(11-9-22)12-17-30-25(32)27(20-24-6-4-3-5-7-24)15-18-31(19-16-27)26(33)28(21-29)13-14-28/h3-11H,2,12-20H2,1H3,(H,30,32)