(E)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-N-prop-2-enyl-prop-2-enamide

Systemtic Name: (E)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-N-prop-2-enyl-prop-2-enamide Openeye Name: (E)-N-allyl-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-prop-2-enamide CAS Name: (E)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-N-prop-2-enyl-2-propenamide IUPAC Name: (E)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-N-prop-2-enylprop-2-enamide Traditional Name: (E)-N-allyl-3-[2-(4-tert-butylphenoxy)-4-keto-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-acrylamide Formula: C26H27N4O3+ MolecularWeight: 443.51758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2NC(=C(C(=O)[N+]2=CC=C1)C=C(C#N)C(=O)NCC=C)OC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=C2NC(=C(C(=O)[N+]2=CC=C1)/C=C(\C#N)/C(=O)NCC=C)OC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C26H26N4O3/c1-6-13-28-23(31)18(16-27)15-21-24(29-22-17(2)8-7-14-30(22)25(21)32)33-20-11-9-19(10-12-20)26(3,4)5/h6-12,14-15H,1,13H2,2-5H3,(H,28,31)/p+1/b18-15+