(phenylmethyl) 2-(5-chloranyl-2-oxidanylidene-6-phenyl-3-phenylazanyl-pyrazin-1-yl)ethanoate

Systemtic Name: (phenylmethyl) 2-(5-chloranyl-2-oxidanylidene-6-phenyl-3-phenylazanyl-pyrazin-1-yl)ethanoate Openeye Name: benzyl 2-(3-anilino-5-chloro-2-oxo-6-phenyl-pyrazin-1-yl)acetate CAS Name: 2-(3-anilino-5-chloro-2-oxo-6-phenyl-1-pyrazinyl)acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(3-anilino-5-chloro-2-oxo-6-phenylpyrazin-1-yl)acetate Traditional Name: 2-(3-anilino-5-chloro-2-keto-6-phenyl-pyrazin-1-yl)acetic acid benzyl ester Formula: C25H20ClN3O3 MolecularWeight: 445.8976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CN2C(=C(N=C(C2=O)NC3=CC=CC=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CN2C(=C(N=C(C2=O)NC3=CC=CC=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C25H20ClN3O3/c26-23-22(19-12-6-2-7-13-19)29(16-21(30)32-17-18-10-4-1-5-11-18)25(31)24(28-23)27-20-14-8-3-9-15-20/h1-15H,16-17H2,(H,27,28)