[4-(4-oxidanylidene-2-piperidin-1-yl-1H-pyrido[2,3-d]pyrimidin-5-yl)phenyl] benzoate

Systemtic Name: [4-(4-oxidanylidene-2-piperidin-1-yl-1H-pyrido[2,3-d]pyrimidin-5-yl)phenyl] benzoate Openeye Name: [4-[4-oxo-2-(1-piperidyl)-1H-pyrido[2,3-d]pyrimidin-5-yl]phenyl] benzoate CAS Name: benzoic acid [4-[4-oxo-2-(1-piperidinyl)-1H-pyrido[2,3-d]pyrimidin-5-yl]phenyl] ester IUPAC Name: [4-(4-oxo-2-piperidin-1-yl-1H-pyrido[2,3-d]pyrimidin-5-yl)phenyl] benzoate Traditional Name: benzoic acid [4-(4-keto-2-piperidino-1H-pyrido[2,3-d]pyrimidin-5-yl)phenyl] ester Formula: C25H22N4O3 MolecularWeight: 426.46718

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=O)C3=C(C=CN=C3N2)C4=CC=C(C=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C2=NC(=O)C3=C(C=CN=C3N2)C4=CC=C(C=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H22N4O3/c30-23-21-20(13-14-26-22(21)27-25(28-23)29-15-5-2-6-16-29)17-9-11-19(12-10-17)32-24(31)18-7-3-1-4-8-18/h1,3-4,7-14H,2,5-6,15-16H2,(H,26,27,28,30)