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

Systemtic Name: (phenylmethyl) 2-[3-(2-azanylethylamino)-5-chloranyl-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanoate Openeye Name: benzyl 2-[3-(2-aminoethylamino)-5-chloro-2-oxo-6-phenyl-pyrazin-1-yl]acetate CAS Name: 2-[3-(2-aminoethylamino)-5-chloro-2-oxo-6-phenyl-1-pyrazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-(2-aminoethylamino)-5-chloro-2-oxo-6-phenylpyrazin-1-yl]acetate Traditional Name: 2-[3-(2-aminoethylamino)-5-chloro-2-keto-6-phenyl-pyrazin-1-yl]acetic acid benzyl ester Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O3/c22-19-18(16-9-5-2-6-10-16)26(21(28)20(25-19)24-12-11-23)13-17(27)29-14-15-7-3-1-4-8-15/h1-10H,11-14,23H2,(H,24,25)