(phenylmethyl) 4-[5-[2-(4-fluorophenyl)ethanoylamino]pyridin-2-yl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[5-[2-(4-fluorophenyl)ethanoylamino]pyridin-2-yl]piperazine-1-carboxylate Openeye Name: benzyl 4-[5-[[2-(4-fluorophenyl)acetyl]amino]-2-pyridyl]piperazine-1-carboxylate CAS Name: 4-[5-[[2-(4-fluorophenyl)-1-oxoethyl]amino]-2-pyridinyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[5-[[2-(4-fluorophenyl)acetyl]amino]pyridin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[5-[[2-(4-fluorophenyl)acetyl]amino]-2-pyridyl]piperazine-1-carboxylic acid benzyl ester Formula: C25H25FN4O3 MolecularWeight: 448.489403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)NC(=O)CC3=CC=C(C=C3)F)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)NC(=O)CC3=CC=C(C=C3)F)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H25FN4O3/c26-21-8-6-19(7-9-21)16-24(31)28-22-10-11-23(27-17-22)29-12-14-30(15-13-29)25(32)33-18-20-4-2-1-3-5-20/h1-11,17H,12-16,18H2,(H,28,31)