(phenylmethyl) 9-cyclopropyl-3-fluoranyl-6-oxidanylidene-2-piperazin-1-yl-pyrido[1,2-a]pyrimidine-7-carboxylate

Systemtic Name: (phenylmethyl) 9-cyclopropyl-3-fluoranyl-6-oxidanylidene-2-piperazin-1-yl-pyrido[1,2-a]pyrimidine-7-carboxylate Openeye Name: benzyl 9-cyclopropyl-3-fluoro-6-oxo-2-piperazin-1-yl-pyrido[1,2-a]pyrimidine-7-carboxylate CAS Name: 9-cyclopropyl-3-fluoro-6-oxo-2-(1-piperazinyl)-7-pyrido[1,2-a]pyrimidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 9-cyclopropyl-3-fluoro-6-oxo-2-piperazin-1-ylpyrido[1,2-a]pyrimidine-7-carboxylate Traditional Name: 9-cyclopropyl-3-fluoro-6-keto-2-piperazino-pyrido[1,2-a]pyrimidine-7-carboxylic acid benzyl ester Formula: C23H23FN4O3 MolecularWeight: 422.452123

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C3N=C(C(=CN3C(=O)C(=C2)C(=O)OCC4=CC=CC=C4)F)N5CCNCC5

Isomeric SMILES

C1CC1C2=C3N=C(C(=CN3C(=O)C(=C2)C(=O)OCC4=CC=CC=C4)F)N5CCNCC5

InChI

InChI=1S/C23H23FN4O3/c24-19-13-28-20(26-21(19)27-10-8-25-9-11-27)17(16-6-7-16)12-18(22(28)29)23(30)31-14-15-4-2-1-3-5-15/h1-5,12-13,16,25H,6-11,14H2