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

Systemtic Name: (phenylmethyl) 2-[5-chloranyl-2-oxidanylidene-3-(3-oxidanylpropylamino)-6-phenyl-pyrazin-1-yl]ethanoate Openeye Name: benzyl 2-[5-chloro-3-(3-hydroxypropylamino)-2-oxo-6-phenyl-pyrazin-1-yl]acetate CAS Name: 2-[5-chloro-3-(3-hydroxypropylamino)-2-oxo-6-phenyl-1-pyrazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[5-chloro-3-(3-hydroxypropylamino)-2-oxo-6-phenylpyrazin-1-yl]acetate Traditional Name: 2-[5-chloro-3-(3-hydroxypropylamino)-2-keto-6-phenyl-pyrazin-1-yl]acetic acid benzyl ester Formula: C22H22ClN3O4 MolecularWeight: 427.88078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O4/c23-20-19(17-10-5-2-6-11-17)26(22(29)21(25-20)24-12-7-13-27)14-18(28)30-15-16-8-3-1-4-9-16/h1-6,8-11,27H,7,12-15H2,(H,24,25)