(phenylmethyl) 3-oxidanylidene-4-[(4-oxidanyl-1-pyridin-4-yl-piperidin-4-yl)methyl]-2H-pyrazine-1-carboxylate

Systemtic Name: (phenylmethyl) 3-oxidanylidene-4-[(4-oxidanyl-1-pyridin-4-yl-piperidin-4-yl)methyl]-2H-pyrazine-1-carboxylate Openeye Name: benzyl 4-[[4-hydroxy-1-(4-pyridyl)-4-piperidyl]methyl]-3-oxo-2H-pyrazine-1-carboxylate CAS Name: 4-[(4-hydroxy-1-pyridin-4-yl-4-piperidinyl)methyl]-3-oxo-2H-pyrazine-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(4-hydroxy-1-pyridin-4-ylpiperidin-4-yl)methyl]-3-oxo-2H-pyrazine-1-carboxylate Traditional Name: 4-[[4-hydroxy-1-(4-pyridyl)-4-piperidyl]methyl]-3-keto-2H-pyrazine-1-carboxylic acid benzyl ester Formula: C23H26N4O4 MolecularWeight: 422.47694

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CN2C=CN(CC2=O)C(=O)OCC3=CC=CC=C3)O)C4=CC=NC=C4

Isomeric SMILES

C1CN(CCC1(CN2C=CN(CC2=O)C(=O)OCC3=CC=CC=C3)O)C4=CC=NC=C4

InChI

InChI=1S/C23H26N4O4/c28-21-16-26(22(29)31-17-19-4-2-1-3-5-19)14-15-27(21)18-23(30)8-12-25(13-9-23)20-6-10-24-11-7-20/h1-7,10-11,14-15,30H,8-9,12-13,16-18H2