(E)-3-[3-[[5-(dimethylamino)-3-ethyl-2-methyl-6-oxidanylidene-1H-pyridin-4-yl]carbonyl]phenyl]but-2-enenitrile

Systemtic Name: (E)-3-[3-[[5-(dimethylamino)-3-ethyl-2-methyl-6-oxidanylidene-1H-pyridin-4-yl]carbonyl]phenyl]but-2-enenitrile Openeye Name: (E)-3-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]but-2-enenitrile CAS Name: (E)-3-[3-[[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridin-4-yl]-oxomethyl]phenyl]-2-butenenitrile IUPAC Name: (E)-3-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]but-2-enenitrile Traditional Name: (E)-3-[3-[3-(dimethylamino)-5-ethyl-2-keto-6-methyl-1H-pyridine-4-carbonyl]phenyl]but-2-enenitrile Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=O)C(=C1C(=O)C2=CC(=CC=C2)C(=CC#N)C)N(C)C)C

Isomeric SMILES

CCC1=C(NC(=O)C(=C1C(=O)C2=CC(=CC=C2)/C(=C/C#N)/C)N(C)C)C

InChI

InChI=1S/C21H23N3O2/c1-6-17-14(3)23-21(26)19(24(4)5)18(17)20(25)16-9-7-8-15(12-16)13(2)10-11-22/h7-10,12H,6H2,1-5H3,(H,23,26)/b13-10+