ethyl 6-[4-[(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[4-[(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-[(4-ketopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazino]nicotinic acid ethyl ester Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)CC3=CC(=O)N4C=CC=CC4=N3

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)CC3=CC(=O)N4C=CC=CC4=N3

InChI

InChI=1S/C21H23N5O3/c1-2-29-21(28)16-6-7-18(22-14-16)25-11-9-24(10-12-25)15-17-13-20(27)26-8-4-3-5-19(26)23-17/h3-8,13-14H,2,9-12,15H2,1H3