(phenylmethyl) 2-[5-chloranyl-2-oxidanylidene-3-(phenethylamino)-6-(4-phenylphenyl)pyrazin-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[5-chloranyl-2-oxidanylidene-3-(phenethylamino)-6-(4-phenylphenyl)pyrazin-1-yl]ethanoate Openeye Name: benzyl 2-[5-chloro-2-oxo-3-(phenethylamino)-6-(4-phenylphenyl)pyrazin-1-yl]acetate CAS Name: 2-[5-chloro-2-oxo-3-(phenethylamino)-6-(4-phenylphenyl)-1-pyrazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[5-chloro-2-oxo-3-(phenethylamino)-6-(4-phenylphenyl)pyrazin-1-yl]acetate Traditional Name: 2-[5-chloro-2-keto-3-(phenethylamino)-6-(4-phenylphenyl)pyrazin-1-yl]acetic acid benzyl ester Formula: C33H28ClN3O3 MolecularWeight: 550.04672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC(=C(N(C2=O)CC(=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC(=C(N(C2=O)CC(=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C33H28ClN3O3/c34-31-30(28-18-16-27(17-19-28)26-14-8-3-9-15-26)37(22-29(38)40-23-25-12-6-2-7-13-25)33(39)32(36-31)35-21-20-24-10-4-1-5-11-24/h1-19H,20-23H2,(H,35,36)