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

Systemtic Name: 5-[4-[(2-oxidanylidene-1H-quinolin-3-yl)methyl]piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile Openeye Name: 2-isopropyl-5-[4-[(2-oxo-1H-quinolin-3-yl)methyl]piperazin-1-yl]-2-phenyl-pentanenitrile CAS Name: 5-[4-[(2-oxo-1H-quinolin-3-yl)methyl]-1-piperazinyl]-2-phenyl-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-[(2-oxo-1H-quinolin-3-yl)methyl]piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile Traditional Name: 2-isopropyl-5-[4-[(2-keto-1H-quinolin-3-yl)methyl]piperazino]-2-phenyl-valeronitrile Formula: C28H34N4O MolecularWeight: 442.59576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CC2=CC3=CC=CC=C3NC2=O)(C#N)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CC2=CC3=CC=CC=C3NC2=O)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C28H34N4O/c1-22(2)28(21-29,25-10-4-3-5-11-25)13-8-14-31-15-17-32(18-16-31)20-24-19-23-9-6-7-12-26(23)30-27(24)33/h3-7,9-12,19,22H,8,13-18,20H2,1-2H3,(H,30,33)