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

Systemtic Name: (phenylmethyl) 2-[5-chloranyl-2-oxidanylidene-3-(phenethylamino)-6-(phenylmethyl)pyrazin-1-yl]ethanoate Openeye Name: benzyl 2-[2-benzyl-3-chloro-6-oxo-5-(phenethylamino)pyrazin-1-yl]acetate CAS Name: 2-[5-chloro-2-oxo-3-(phenethylamino)-6-(phenylmethyl)-1-pyrazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-benzyl-3-chloro-6-oxo-5-(phenethylamino)pyrazin-1-yl]acetate Traditional Name: 2-[2-benzyl-3-chloro-6-keto-5-(phenethylamino)pyrazin-1-yl]acetic acid benzyl ester Formula: C28H26ClN3O3 MolecularWeight: 487.97734

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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)CC4=CC=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC(=C(N(C2=O)CC(=O)OCC3=CC=CC=C3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C28H26ClN3O3/c29-26-24(18-22-12-6-2-7-13-22)32(19-25(33)35-20-23-14-8-3-9-15-23)28(34)27(31-26)30-17-16-21-10-4-1-5-11-21/h1-15H,16-20H2,(H,30,31)