(phenylmethyl) 3-oxidanylidene-4-[piperidin-4-yl(pyridin-4-yl)amino]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 3-oxidanylidene-4-[piperidin-4-yl(pyridin-4-yl)amino]piperazine-1-carboxylate Openeye Name: benzyl 3-oxo-4-[4-piperidyl(4-pyridyl)amino]piperazine-1-carboxylate CAS Name: 3-oxo-4-[4-piperidinyl(pyridin-4-yl)amino]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-oxo-4-[piperidin-4-yl(pyridin-4-yl)amino]piperazine-1-carboxylate Traditional Name: 3-keto-4-[4-piperidyl(4-pyridyl)amino]piperazine-1-carboxylic acid benzyl ester Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N(C2=CC=NC=C2)N3CCN(CC3=O)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CNCCC1N(C2=CC=NC=C2)N3CCN(CC3=O)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H27N5O3/c28-21-16-25(22(29)30-17-18-4-2-1-3-5-18)14-15-26(21)27(19-6-10-23-11-7-19)20-8-12-24-13-9-20/h1-7,10-11,20,24H,8-9,12-17H2