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

Systemtic Name: (phenylmethyl) 2-[5-chloranyl-3-(cyclobutylamino)-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanoate Openeye Name: benzyl 2-[5-chloro-3-(cyclobutylamino)-2-oxo-6-phenyl-pyrazin-1-yl]acetate CAS Name: 2-[5-chloro-3-(cyclobutylamino)-2-oxo-6-phenyl-1-pyrazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[5-chloro-3-(cyclobutylamino)-2-oxo-6-phenylpyrazin-1-yl]acetate Traditional Name: 2-[5-chloro-3-(cyclobutylamino)-2-keto-6-phenyl-pyrazin-1-yl]acetic acid benzyl ester Formula: C23H22ClN3O3 MolecularWeight: 423.89208

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)NC2=NC(=C(N(C2=O)CC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

C1CC(C1)NC2=NC(=C(N(C2=O)CC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C23H22ClN3O3/c24-21-20(17-10-5-2-6-11-17)27(23(29)22(26-21)25-18-12-7-13-18)14-19(28)30-15-16-8-3-1-4-9-16/h1-6,8-11,18H,7,12-15H2,(H,25,26)