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

Systemtic Name: (E)-2-cyano-3-[2-(2-methylphenoxy)-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-N-phenethyl-prop-2-enamide Openeye Name: (E)-2-cyano-3-[2-(2-methylphenoxy)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-N-phenethyl-prop-2-enamide CAS Name: (E)-2-cyano-3-[2-(2-methylphenoxy)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-N-phenethyl-2-propenamide IUPAC Name: (E)-2-cyano-3-[2-(2-methylphenoxy)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-N-phenethylprop-2-enamide Traditional Name: (E)-2-cyano-3-[4-keto-2-(2-methylphenoxy)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-N-phenethyl-acrylamide Formula: C27H23N4O3+ MolecularWeight: 451.49652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2=C(C(=O)[N+]3=CC=CC=C3N2)C=C(C#N)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1OC2=C(C(=O)[N+]3=CC=CC=C3N2)/C=C(\C#N)/C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C27H22N4O3/c1-19-9-5-6-12-23(19)34-26-22(27(33)31-16-8-7-13-24(31)30-26)17-21(18-28)25(32)29-15-14-20-10-3-2-4-11-20/h2-13,16-17H,14-15H2,1H3,(H,29,32)/p+1/b21-17+