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

Systemtic Name: (E)-3-[3-[(5-azanyl-3-ethyl-2-methyl-6-oxidanylidene-1H-pyridin-4-yl)carbonyl]phenyl]prop-2-enenitrile Openeye Name: (E)-3-[3-(5-amino-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl)phenyl]prop-2-enenitrile CAS Name: (E)-3-[3-[(5-amino-3-ethyl-2-methyl-6-oxo-1H-pyridin-4-yl)-oxomethyl]phenyl]-2-propenenitrile IUPAC Name: (E)-3-[3-(5-amino-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl)phenyl]prop-2-enenitrile Traditional Name: (E)-3-[3-(3-amino-5-ethyl-2-keto-6-methyl-1H-pyridine-4-carbonyl)phenyl]acrylonitrile Formula: C18H17N3O2 MolecularWeight: 307.34648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O2/c1-3-14-11(2)21-18(23)16(20)15(14)17(22)13-8-4-6-12(10-13)7-5-9-19/h4-8,10H,3,20H2,1-2H3,(H,21,23)/b7-5+