5-[1-[(2-oxidanylidene-1H-pyridin-3-yl)methyl]piperidin-4-yl]-2-phenyl-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-[1-[(2-oxidanylidene-1H-pyridin-3-yl)methyl]piperidin-4-yl]-2-phenyl-2-propan-2-yl-pentanenitrile Openeye Name: 2-isopropyl-5-[1-[(2-oxo-1H-pyridin-3-yl)methyl]-4-piperidyl]-2-phenyl-pentanenitrile CAS Name: 5-[1-[(2-oxo-1H-pyridin-3-yl)methyl]-4-piperidinyl]-2-phenyl-2-propan-2-ylpentanenitrile IUPAC Name: 5-[1-[(2-oxo-1H-pyridin-3-yl)methyl]piperidin-4-yl]-2-phenyl-2-propan-2-ylpentanenitrile Traditional Name: 2-isopropyl-5-[1-[(2-keto-1H-pyridin-3-yl)methyl]-4-piperidyl]-2-phenyl-valeronitrile Formula: C25H33N3O MolecularWeight: 391.54902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC1CCN(CC1)CC2=CC=CNC2=O)(C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CCCC1CCN(CC1)CC2=CC=CNC2=O)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C25H33N3O/c1-20(2)25(19-26,23-10-4-3-5-11-23)14-6-8-21-12-16-28(17-13-21)18-22-9-7-15-27-24(22)29/h3-5,7,9-11,15,20-21H,6,8,12-14,16-18H2,1-2H3,(H,27,29)