1-[4-tert-butyl-5-methoxy-2-(2-oxidanylidene-1H-pyridin-3-yl)phenyl]carbonylpiperidine-4-carbonitrile

Systemtic Name: 1-[4-tert-butyl-5-methoxy-2-(2-oxidanylidene-1H-pyridin-3-yl)phenyl]carbonylpiperidine-4-carbonitrile Openeye Name: 1-[4-tert-butyl-5-methoxy-2-(2-oxo-1H-pyridin-3-yl)benzoyl]piperidine-4-carbonitrile CAS Name: 1-[[4-tert-butyl-5-methoxy-2-(2-oxo-1H-pyridin-3-yl)phenyl]-oxomethyl]-4-piperidinecarbonitrile IUPAC Name: 1-[4-tert-butyl-5-methoxy-2-(2-oxo-1H-pyridin-3-yl)benzoyl]piperidine-4-carbonitrile Traditional Name: 1-[4-tert-butyl-2-(2-keto-1H-pyridin-3-yl)-5-methoxy-benzoyl]isonipecotonitrile Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C(=C1)C2=CC=CNC2=O)C(=O)N3CCC(CC3)C#N)OC

Isomeric SMILES

CC(C)(C)C1=C(C=C(C(=C1)C2=CC=CNC2=O)C(=O)N3CCC(CC3)C#N)OC

InChI

InChI=1S/C23H27N3O3/c1-23(2,3)19-12-17(16-6-5-9-25-21(16)27)18(13-20(19)29-4)22(28)26-10-7-15(14-24)8-11-26/h5-6,9,12-13,15H,7-8,10-11H2,1-4H3,(H,25,27)