(E)-3-[2-(4-tert-butylphenoxy)-7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-prop-2-enyl-prop-2-enamide

Systemtic Name: (E)-3-[2-(4-tert-butylphenoxy)-7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-prop-2-enyl-prop-2-enamide Openeye Name: (E)-N-allyl-3-[2-(4-tert-butylphenoxy)-7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-prop-2-enamide CAS Name: (E)-3-[2-(4-tert-butylphenoxy)-7-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-cyano-N-prop-2-enyl-2-propenamide IUPAC Name: (E)-3-[2-(4-tert-butylphenoxy)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-prop-2-enylprop-2-enamide Traditional Name: (E)-N-allyl-3-[2-(4-tert-butylphenoxy)-4-keto-7-methyl-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-acrylamide Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=C(C2=O)C=C(C#N)C(=O)NCC=C)OC3=CC=C(C=C3)C(C)(C)C)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=C(C2=O)/C=C(\C#N)/C(=O)NCC=C)OC3=CC=C(C=C3)C(C)(C)C)C=C1

InChI

InChI=1S/C26H26N4O3/c1-6-13-28-23(31)18(15-27)14-21-24(29-22-12-7-17(2)16-30(22)25(21)32)33-20-10-8-19(9-11-20)26(3,4)5/h6-12,14,16H,1,13H2,2-5H3,(H,28,31)/b18-14+