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

Systemtic Name: (phenylmethyl) 2-[5-chloranyl-2-oxidanylidene-6-phenyl-3-(prop-2-ynylamino)pyrazin-1-yl]ethanoate Openeye Name: benzyl 2-[5-chloro-2-oxo-6-phenyl-3-(prop-2-ynylamino)pyrazin-1-yl]acetate CAS Name: 2-[5-chloro-2-oxo-6-phenyl-3-(prop-2-ynylamino)-1-pyrazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[5-chloro-2-oxo-6-phenyl-3-(prop-2-ynylamino)pyrazin-1-yl]acetate Traditional Name: 2-[5-chloro-2-keto-6-phenyl-3-(propargylamino)pyrazin-1-yl]acetic acid benzyl ester Formula: C22H18ClN3O3 MolecularWeight: 407.84962

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=NC(=C(N(C1=O)CC(=O)OCC2=CC=CC=C2)C3=CC=CC=C3)Cl

Isomeric SMILES

C#CCNC1=NC(=C(N(C1=O)CC(=O)OCC2=CC=CC=C2)C3=CC=CC=C3)Cl

InChI

InChI=1S/C22H18ClN3O3/c1-2-13-24-21-22(28)26(14-18(27)29-15-16-9-5-3-6-10-16)19(20(23)25-21)17-11-7-4-8-12-17/h1,3-12H,13-15H2,(H,24,25)