ethyl 4-[1-(4-oxidanylidenepyrido[1,2-a]pyrimidin-3-yl)carbonylpiperidin-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-(4-oxidanylidenepyrido[1,2-a]pyrimidin-3-yl)carbonylpiperidin-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)-3-piperidyl]piperazine-1-carboxylate CAS Name: 4-[1-[oxo-(4-oxo-3-pyrido[1,2-a]pyrimidinyl)methyl]-3-piperidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidin-3-yl]piperazine-1-carboxylate Traditional Name: 4-[1-(4-ketopyrido[1,2-a]pyrimidine-3-carbonyl)-3-piperidyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CCCN(C2)C(=O)C3=CN=C4C=CC=CN4C3=O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2CCCN(C2)C(=O)C3=CN=C4C=CC=CN4C3=O

InChI

InChI=1S/C21H27N5O4/c1-2-30-21(29)24-12-10-23(11-13-24)16-6-5-8-25(15-16)19(27)17-14-22-18-7-3-4-9-26(18)20(17)28/h3-4,7,9,14,16H,2,5-6,8,10-13,15H2,1H3