1-butyl-4-[4-(3-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-2-oxidanylidene-pyridine-3-carbonitrile

Systemtic Name: 1-butyl-4-[4-(3-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 1-butyl-4-[4-(3-chlorophenyl)-4-hydroxy-1-piperidyl]-2-oxo-pyridine-3-carbonitrile CAS Name: 1-butyl-4-[4-(3-chlorophenyl)-4-hydroxy-1-piperidinyl]-2-oxo-3-pyridinecarbonitrile IUPAC Name: 1-butyl-4-[4-(3-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxopyridine-3-carbonitrile Traditional Name: 1-butyl-4-[4-(3-chlorophenyl)-4-hydroxy-piperidino]-2-keto-nicotinonitrile Formula: C21H24ClN3O2 MolecularWeight: 385.88716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=CC(=C(C1=O)C#N)N2CCC(CC2)(C3=CC(=CC=C3)Cl)O

Isomeric SMILES

CCCCN1C=CC(=C(C1=O)C#N)N2CCC(CC2)(C3=CC(=CC=C3)Cl)O

InChI

InChI=1S/C21H24ClN3O2/c1-2-3-10-25-11-7-19(18(15-23)20(25)26)24-12-8-21(27,9-13-24)16-5-4-6-17(22)14-16/h4-7,11,14,27H,2-3,8-10,12-13H2,1H3