(E)-3-[2-(4-tert-butylphenoxy)-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-N-cyclohexyl-prop-2-enamide

Systemtic Name: (E)-3-[2-(4-tert-butylphenoxy)-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-N-cyclohexyl-prop-2-enamide Openeye Name: (E)-3-[2-(4-tert-butylphenoxy)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-N-cyclohexyl-prop-2-enamide CAS Name: (E)-3-[2-(4-tert-butylphenoxy)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-N-cyclohexyl-2-propenamide IUPAC Name: (E)-3-[2-(4-tert-butylphenoxy)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-N-cyclohexylprop-2-enamide Traditional Name: (E)-3-[2-(4-tert-butylphenoxy)-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-N-cyclohexyl-acrylamide Formula: C28H31N4O3+ MolecularWeight: 471.57074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=C(C(=O)[N+]3=CC=CC=C3N2)C=C(C#N)C(=O)NC4CCCCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=C(C(=O)[N+]3=CC=CC=C3N2)/C=C(\C#N)/C(=O)NC4CCCCC4

InChI

InChI=1S/C28H30N4O3/c1-28(2,3)20-12-14-22(15-13-20)35-26-23(27(34)32-16-8-7-11-24(32)31-26)17-19(18-29)25(33)30-21-9-5-4-6-10-21/h7-8,11-17,21H,4-6,9-10H2,1-3H3,(H,30,33)/p+1/b19-17+