(phenylmethyl) 2-[3-(azetidin-1-yl)-5-chloranyl-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[3-(azetidin-1-yl)-5-chloranyl-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanoate Openeye Name: benzyl 2-[3-(azetidin-1-yl)-5-chloro-2-oxo-6-phenyl-pyrazin-1-yl]acetate CAS Name: 2-[3-(1-azetidinyl)-5-chloro-2-oxo-6-phenyl-1-pyrazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-(azetidin-1-yl)-5-chloro-2-oxo-6-phenylpyrazin-1-yl]acetate Traditional Name: 2-[3-(azetidin-1-yl)-5-chloro-2-keto-6-phenyl-pyrazin-1-yl]acetic acid benzyl ester Formula: C22H20ClN3O3 MolecularWeight: 409.8655

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C1)C2=NC(=C(N(C2=O)CC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

C1CN(C1)C2=NC(=C(N(C2=O)CC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C22H20ClN3O3/c23-20-19(17-10-5-2-6-11-17)26(22(28)21(24-20)25-12-7-13-25)14-18(27)29-15-16-8-3-1-4-9-16/h1-6,8-11H,7,12-15H2