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

Systemtic Name: (E)-2-cyano-N-cyclopentyl-3-[9-methyl-2-(3-methylphenoxy)-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]prop-2-enamide Openeye Name: (E)-2-cyano-N-cyclopentyl-3-[9-methyl-2-(3-methylphenoxy)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]prop-2-enamide CAS Name: (E)-2-cyano-N-cyclopentyl-3-[9-methyl-2-(3-methylphenoxy)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-propenamide IUPAC Name: (E)-2-cyano-N-cyclopentyl-3-[9-methyl-2-(3-methylphenoxy)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]prop-2-enamide Traditional Name: (E)-2-cyano-N-cyclopentyl-3-[4-keto-9-methyl-2-(3-methylphenoxy)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]acrylamide Formula: C25H25N4O3+ MolecularWeight: 429.491

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=C(C(=O)[N+]3=CC=CC(=C3N2)C)C=C(C#N)C(=O)NC4CCCC4

Isomeric SMILES

CC1=CC(=CC=C1)OC2=C(C(=O)[N+]3=CC=CC(=C3N2)C)/C=C(\C#N)/C(=O)NC4CCCC4

InChI

InChI=1S/C25H24N4O3/c1-16-7-5-11-20(13-16)32-24-21(25(31)29-12-6-8-17(2)22(29)28-24)14-18(15-26)23(30)27-19-9-3-4-10-19/h5-8,11-14,19H,3-4,9-10H2,1-2H3,(H,27,30)/p+1/b18-14+