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

Systemtic Name: (E)-2-cyano-3-(9-methyl-4-oxidanylidene-2-phenoxy-pyrido[1,2-a]pyrimidin-3-yl)-N-phenethyl-prop-2-enamide Openeye Name: (E)-2-cyano-3-(9-methyl-4-oxo-2-phenoxy-pyrido[1,2-a]pyrimidin-3-yl)-N-phenethyl-prop-2-enamide CAS Name: (E)-2-cyano-3-(9-methyl-4-oxo-2-phenoxy-3-pyrido[1,2-a]pyrimidinyl)-N-phenethyl-2-propenamide IUPAC Name: (E)-2-cyano-3-(9-methyl-4-oxo-2-phenoxypyrido[1,2-a]pyrimidin-3-yl)-N-phenethylprop-2-enamide Traditional Name: (E)-2-cyano-3-(4-keto-9-methyl-2-phenoxy-pyrido[1,2-a]pyrimidin-3-yl)-N-phenethyl-acrylamide Formula: C27H22N4O3 MolecularWeight: 450.48858

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H22N4O3/c1-19-9-8-16-31-24(19)30-26(34-22-12-6-3-7-13-22)23(27(31)33)17-21(18-28)25(32)29-15-14-20-10-4-2-5-11-20/h2-13,16-17H,14-15H2,1H3,(H,29,32)/b21-17+