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

Systemtic Name: 5-[1-[(2-oxidanylidene-1H-quinolin-3-yl)methyl]piperidin-4-yl]-2-phenyl-2-propan-2-yl-pentanenitrile Openeye Name: 2-isopropyl-5-[1-[(2-oxo-1H-quinolin-3-yl)methyl]-4-piperidyl]-2-phenyl-pentanenitrile CAS Name: 5-[1-[(2-oxo-1H-quinolin-3-yl)methyl]-4-piperidinyl]-2-phenyl-2-propan-2-ylpentanenitrile IUPAC Name: 5-[1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-4-yl]-2-phenyl-2-propan-2-ylpentanenitrile Traditional Name: 2-isopropyl-5-[1-[(2-keto-1H-quinolin-3-yl)methyl]-4-piperidyl]-2-phenyl-valeronitrile Formula: C29H35N3O MolecularWeight: 441.6077

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC1CCN(CC1)CC2=CC3=CC=CC=C3NC2=O)(C#N)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(CCCC1CCN(CC1)CC2=CC3=CC=CC=C3NC2=O)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C29H35N3O/c1-22(2)29(21-30,26-11-4-3-5-12-26)16-8-9-23-14-17-32(18-15-23)20-25-19-24-10-6-7-13-27(24)31-28(25)33/h3-7,10-13,19,22-23H,8-9,14-18,20H2,1-2H3,(H,31,33)