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

Systemtic Name: (E)-2-cyano-3-(4-oxidanylidene-2-phenoxy-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)-N-phenethyl-prop-2-enamide Openeye Name: (E)-2-cyano-3-(4-oxo-2-phenoxy-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)-N-phenethyl-prop-2-enamide CAS Name: (E)-2-cyano-3-(4-oxo-2-phenoxy-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)-N-phenethyl-2-propenamide IUPAC Name: (E)-2-cyano-3-(4-oxo-2-phenoxy-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)-N-phenethylprop-2-enamide Traditional Name: (E)-2-cyano-3-(4-keto-2-phenoxy-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)-N-phenethyl-acrylamide Formula: C26H21N4O3+ MolecularWeight: 437.46994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C(=CC2=C(NC3=CC=CC=[N+]3C2=O)OC4=CC=CC=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)/C(=C/C2=C(NC3=CC=CC=[N+]3C2=O)OC4=CC=CC=C4)/C#N

InChI

InChI=1S/C26H20N4O3/c27-18-20(24(31)28-15-14-19-9-3-1-4-10-19)17-22-25(33-21-11-5-2-6-12-21)29-23-13-7-8-16-30(23)26(22)32/h1-13,16-17H,14-15H2,(H,28,31)/p+1/b20-17+