N-[4-oxidanylidene-9-(4-phenylpiperazin-1-yl)carbonyl-pyrido[1,2-a]pyrimidin-3-yl]pyridine-3-carboxamide

Systemtic Name: N-[4-oxidanylidene-9-(4-phenylpiperazin-1-yl)carbonyl-pyrido[1,2-a]pyrimidin-3-yl]pyridine-3-carboxamide Openeye Name: N-[4-oxo-9-(4-phenylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-3-yl]pyridine-3-carboxamide CAS Name: N-[4-oxo-9-[oxo-(4-phenyl-1-piperazinyl)methyl]-3-pyrido[1,2-a]pyrimidinyl]-3-pyridinecarboxamide IUPAC Name: N-[4-oxo-9-(4-phenylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-3-yl]pyridine-3-carboxamide Traditional Name: N-[4-keto-9-(4-phenylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-3-yl]nicotinamide Formula: C25H22N6O3 MolecularWeight: 454.48058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=CN4C3=NC=C(C4=O)NC(=O)C5=CN=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=CN4C3=NC=C(C4=O)NC(=O)C5=CN=CC=C5

InChI

InChI=1S/C25H22N6O3/c32-23(18-6-4-10-26-16-18)28-21-17-27-22-20(9-5-11-31(22)25(21)34)24(33)30-14-12-29(13-15-30)19-7-2-1-3-8-19/h1-11,16-17H,12-15H2,(H,28,32)