3-[2-(4-chloranyl-3-methyl-phenoxy)-9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-phenethyl-prop-2-enamide

Systemtic Name: 3-[2-(4-chloranyl-3-methyl-phenoxy)-9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-phenethyl-prop-2-enamide Openeye Name: 3-[2-(4-chloro-3-methyl-phenoxy)-9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-phenethyl-prop-2-enamide CAS Name: 3-[2-(4-chloro-3-methylphenoxy)-9-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-cyano-N-phenethyl-2-propenamide IUPAC Name: 3-[2-(4-chloro-3-methylphenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-phenethylprop-2-enamide Traditional Name: 3-[2-(4-chloro-3-methyl-phenoxy)-4-keto-9-methyl-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-phenethyl-acrylamide Formula: C28H23ClN4O3 MolecularWeight: 498.96022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C(=O)NCCC3=CC=CC=C3)OC4=CC(=C(C=C4)Cl)C

Isomeric SMILES

CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C(=O)NCCC3=CC=CC=C3)OC4=CC(=C(C=C4)Cl)C

InChI

InChI=1S/C28H23ClN4O3/c1-18-7-6-14-33-25(18)32-27(36-22-10-11-24(29)19(2)15-22)23(28(33)35)16-21(17-30)26(34)31-13-12-20-8-4-3-5-9-20/h3-11,14-16H,12-13H2,1-2H3,(H,31,34)