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

Systemtic Name: (E)-2-cyano-3-[2-(5-methyl-2-propan-2-yl-phenoxy)-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-isopropyl-5-methyl-phenoxy)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-N-phenethyl-prop-2-enamide CAS Name: (E)-2-cyano-3-[2-(5-methyl-2-propan-2-ylphenoxy)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-N-phenethyl-2-propenamide IUPAC Name: (E)-2-cyano-3-[2-(5-methyl-2-propan-2-ylphenoxy)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-N-phenethylprop-2-enamide Traditional Name: (E)-2-cyano-3-[2-(2-isopropyl-5-methyl-phenoxy)-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-N-phenethyl-acrylamide Formula: C30H29N4O3+ MolecularWeight: 493.57626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OC2=C(C(=O)[N+]3=CC=CC=C3N2)C=C(C#N)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC2=C(C(=O)[N+]3=CC=CC=C3N2)/C=C(\C#N)/C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C30H28N4O3/c1-20(2)24-13-12-21(3)17-26(24)37-29-25(30(36)34-16-8-7-11-27(34)33-29)18-23(19-31)28(35)32-15-14-22-9-5-4-6-10-22/h4-13,16-18,20H,14-15H2,1-3H3,(H,32,35)/p+1/b23-18+