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

Systemtic Name: (phenylmethyl) 2-[5-chloranyl-2-oxidanylidene-6-phenyl-3-(propan-2-ylamino)pyrazin-1-yl]ethanoate Openeye Name: benzyl 2-[5-chloro-3-(isopropylamino)-2-oxo-6-phenyl-pyrazin-1-yl]acetate CAS Name: 2-[5-chloro-2-oxo-6-phenyl-3-(propan-2-ylamino)-1-pyrazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[5-chloro-2-oxo-6-phenyl-3-(propan-2-ylamino)pyrazin-1-yl]acetate Traditional Name: 2-[5-chloro-3-(isopropylamino)-2-keto-6-phenyl-pyrazin-1-yl]acetic acid benzyl ester Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC(=C(N(C1=O)CC(=O)OCC2=CC=CC=C2)C3=CC=CC=C3)Cl

Isomeric SMILES

CC(C)NC1=NC(=C(N(C1=O)CC(=O)OCC2=CC=CC=C2)C3=CC=CC=C3)Cl

InChI

InChI=1S/C22H22ClN3O3/c1-15(2)24-21-22(28)26(13-18(27)29-14-16-9-5-3-6-10-16)19(20(23)25-21)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3,(H,24,25)