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

Systemtic Name: (E)-2-cyano-3-[2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-N-phenethyl-prop-2-enamide Openeye Name: (E)-2-cyano-3-[2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-N-phenethyl-prop-2-enamide CAS Name: (E)-2-cyano-3-[2-(4-ethyl-1-piperazinyl)-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-N-phenethyl-2-propenamide IUPAC Name: (E)-2-cyano-3-[2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-N-phenethylprop-2-enamide Traditional Name: (E)-2-cyano-3-[2-(4-ethylpiperazino)-4-keto-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-N-phenethyl-acrylamide Formula: C27H31N6O2+ MolecularWeight: 471.57404

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C(=O)[N+]3=CC=CC(=C3N2)C)C=C(C#N)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CCN1CCN(CC1)C2=C(C(=O)[N+]3=CC=CC(=C3N2)C)/C=C(\C#N)/C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C27H30N6O2/c1-3-31-14-16-32(17-15-31)25-23(27(35)33-13-7-8-20(2)24(33)30-25)18-22(19-28)26(34)29-12-11-21-9-5-4-6-10-21/h4-10,13,18H,3,11-12,14-17H2,1-2H3,(H,29,34)/p+1/b22-18+