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

Systemtic Name: (phenylmethyl) 2-[3-chloranyl-5-(cyclobutylamino)-2-(3-hydroxyphenyl)-6-oxidanylidene-pyrazin-1-yl]ethanoate Openeye Name: benzyl 2-[3-chloro-5-(cyclobutylamino)-2-(3-hydroxyphenyl)-6-oxo-pyrazin-1-yl]acetate CAS Name: 2-[3-chloro-5-(cyclobutylamino)-2-(3-hydroxyphenyl)-6-oxo-1-pyrazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-chloro-5-(cyclobutylamino)-2-(3-hydroxyphenyl)-6-oxopyrazin-1-yl]acetate Traditional Name: 2-[3-chloro-5-(cyclobutylamino)-2-(3-hydroxyphenyl)-6-keto-pyrazin-1-yl]acetic acid benzyl ester Formula: C23H22ClN3O4 MolecularWeight: 439.89148

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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)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClN3O4/c24-21-20(16-8-4-11-18(28)12-16)27(23(30)22(26-21)25-17-9-5-10-17)13-19(29)31-14-15-6-2-1-3-7-15/h1-4,6-8,11-12,17,28H,5,9-10,13-14H2,(H,25,26)