1-[(6-methyl-3-oxidanyl-4-oxidanylidene-pyran-2-yl)methyl]-4-phenyl-piperidine-4-carbonitrile

Systemtic Name: 1-[(6-methyl-3-oxidanyl-4-oxidanylidene-pyran-2-yl)methyl]-4-phenyl-piperidine-4-carbonitrile Openeye Name: 1-[(3-hydroxy-6-methyl-4-oxo-pyran-2-yl)methyl]-4-phenyl-piperidine-4-carbonitrile CAS Name: 1-[(3-hydroxy-6-methyl-4-oxo-2-pyranyl)methyl]-4-phenyl-4-piperidinecarbonitrile IUPAC Name: 1-[(3-hydroxy-6-methyl-4-oxopyran-2-yl)methyl]-4-phenylpiperidine-4-carbonitrile Traditional Name: 1-[(3-hydroxy-4-keto-6-methyl-pyran-2-yl)methyl]-4-phenyl-isonipecotonitrile Formula: C19H20N2O3 MolecularWeight: 324.3737

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(O1)CN2CCC(CC2)(C#N)C3=CC=CC=C3)O

Isomeric SMILES

CC1=CC(=O)C(=C(O1)CN2CCC(CC2)(C#N)C3=CC=CC=C3)O

InChI

InChI=1S/C19H20N2O3/c1-14-11-16(22)18(23)17(24-14)12-21-9-7-19(13-20,8-10-21)15-5-3-2-4-6-15/h2-6,11,23H,7-10,12H2,1H3