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

Systemtic Name: (phenylmethyl) 4-[methyl-(1-pyridin-4-ylpiperidin-4-yl)amino]-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: benzyl 4-[methyl-[1-(4-pyridyl)-4-piperidyl]amino]-3-oxo-piperazine-1-carboxylate CAS Name: 4-[methyl-(1-pyridin-4-yl-4-piperidinyl)amino]-3-oxo-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[methyl-(1-pyridin-4-ylpiperidin-4-yl)amino]-3-oxopiperazine-1-carboxylate Traditional Name: 3-keto-4-[methyl-[1-(4-pyridyl)-4-piperidyl]amino]piperazine-1-carboxylic acid benzyl ester Formula: C23H29N5O3 MolecularWeight: 423.50806

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(CC1)C2=CC=NC=C2)N3CCN(CC3=O)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CN(C1CCN(CC1)C2=CC=NC=C2)N3CCN(CC3=O)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H29N5O3/c1-25(20-9-13-26(14-10-20)21-7-11-24-12-8-21)28-16-15-27(17-22(28)29)23(30)31-18-19-5-3-2-4-6-19/h2-8,11-12,20H,9-10,13-18H2,1H3