(E)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-N-phenethyl-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-phenethyl-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-phenethyl-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-phenethyl-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-phenethylprop-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-phenethyl-acrylamide Formula: C31H31N4O3+ MolecularWeight: 507.60284

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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)NCCC3=CC=CC=C3)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)NCCC3=CC=CC=C3)OC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C31H30N4O3/c1-21-9-8-18-35-27(21)34-29(38-25-14-12-24(13-15-25)31(2,3)4)26(30(35)37)19-23(20-32)28(36)33-17-16-22-10-6-5-7-11-22/h5-15,18-19H,16-17H2,1-4H3,(H,33,36)/p+1/b23-19+