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

Systemtic Name: (E)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-N-cyclohexyl-prop-2-enamide Openeye Name: (E)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-N-cyclohexyl-prop-2-enamide CAS Name: (E)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-N-cyclohexyl-2-propenamide IUPAC Name: (E)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-N-cyclohexylprop-2-enamide Traditional Name: (E)-3-[2-(4-tert-butylphenoxy)-4-keto-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-N-cyclohexyl-acrylamide Formula: C29H33N4O3+ MolecularWeight: 485.59732

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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)NC3CCCCC3)OC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=C2NC(=C(C(=O)[N+]2=CC=C1)/C=C(\C#N)/C(=O)NC3CCCCC3)OC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C29H32N4O3/c1-19-9-8-16-33-25(19)32-27(36-23-14-12-21(13-15-23)29(2,3)4)24(28(33)35)17-20(18-30)26(34)31-22-10-6-5-7-11-22/h8-9,12-17,22H,5-7,10-11H2,1-4H3,(H,31,34)/p+1/b20-17+