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

Systemtic Name: (phenylmethyl) 4-[5-(2-chloranylpyrimidin-4-yl)pyridin-2-yl]piperazine-1-carboxylate Openeye Name: benzyl 4-[5-(2-chloropyrimidin-4-yl)-2-pyridyl]piperazine-1-carboxylate CAS Name: 4-[5-(2-chloro-4-pyrimidinyl)-2-pyridinyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[5-(2-chloropyrimidin-4-yl)pyridin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[5-(2-chloropyrimidin-4-yl)-2-pyridyl]piperazine-1-carboxylic acid benzyl ester Formula: C21H20ClN5O2 MolecularWeight: 409.8688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN5O2/c22-20-23-9-8-18(25-20)17-6-7-19(24-14-17)26-10-12-27(13-11-26)21(28)29-15-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2