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

Systemtic Name: (phenylmethyl) 2-[5-chloranyl-2-oxidanylidene-6-phenyl-3-[(phenylmethyl)amino]pyrazin-1-yl]ethanoate Openeye Name: benzyl 2-[3-(benzylamino)-5-chloro-2-oxo-6-phenyl-pyrazin-1-yl]acetate CAS Name: 2-[5-chloro-2-oxo-6-phenyl-3-[(phenylmethyl)amino]-1-pyrazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-(benzylamino)-5-chloro-2-oxo-6-phenylpyrazin-1-yl]acetate Traditional Name: 2-[3-(benzylamino)-5-chloro-2-keto-6-phenyl-pyrazin-1-yl]acetic acid benzyl ester Formula: C26H22ClN3O3 MolecularWeight: 459.92418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=C(N(C2=O)CC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=C(N(C2=O)CC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C26H22ClN3O3/c27-24-23(21-14-8-3-9-15-21)30(17-22(31)33-18-20-12-6-2-7-13-20)26(32)25(29-24)28-16-19-10-4-1-5-11-19/h1-15H,16-18H2,(H,28,29)