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

Systemtic Name: (E)-2-cyano-3-(9-methyl-4-oxidanylidene-2-phenoxy-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)-N-(3-propan-2-yloxypropyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(3-isopropoxypropyl)-3-(9-methyl-4-oxo-2-phenoxy-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)prop-2-enamide CAS Name: (E)-2-cyano-3-(9-methyl-4-oxo-2-phenoxy-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)-N-(3-propan-2-yloxypropyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-(9-methyl-4-oxo-2-phenoxy-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)-N-(3-propan-2-yloxypropyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(3-isopropoxypropyl)-3-(4-keto-9-methyl-2-phenoxy-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)acrylamide Formula: C25H27N4O4+ MolecularWeight: 447.50628

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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)NCCCOC(C)C)OC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O4/c1-17(2)32-14-8-12-27-23(30)19(16-26)15-21-24(33-20-10-5-4-6-11-20)28-22-18(3)9-7-13-29(22)25(21)31/h4-7,9-11,13,15,17H,8,12,14H2,1-3H3,(H,27,30)/p+1/b19-15+