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

Systemtic Name: (phenylmethyl) 2-[5-chloranyl-3-(4-oxidanylbutylamino)-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanoate Openeye Name: benzyl 2-[5-chloro-3-(4-hydroxybutylamino)-2-oxo-6-phenyl-pyrazin-1-yl]acetate CAS Name: 2-[5-chloro-3-(4-hydroxybutylamino)-2-oxo-6-phenyl-1-pyrazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[5-chloro-3-(4-hydroxybutylamino)-2-oxo-6-phenylpyrazin-1-yl]acetate Traditional Name: 2-[5-chloro-3-(4-hydroxybutylamino)-2-keto-6-phenyl-pyrazin-1-yl]acetic acid benzyl ester Formula: C23H24ClN3O4 MolecularWeight: 441.90736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24ClN3O4/c24-21-20(18-11-5-2-6-12-18)27(23(30)22(26-21)25-13-7-8-14-28)15-19(29)31-16-17-9-3-1-4-10-17/h1-6,9-12,28H,7-8,13-16H2,(H,25,26)