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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NN2CCN(CC2=O)C(=O)OCC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

C1CN(CCC1NN2CCN(CC2=O)C(=O)OCC3=CC=CC=C3)C4=CC=NC=C4

InChI

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