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

Systemtic Name: (phenylmethyl) 2-[3-[3-chloranyl-5-(phenethylamino)phenyl]-2-oxidanylidene-pyrazin-1-yl]ethanoate Openeye Name: benzyl 2-[3-[3-chloro-5-(phenethylamino)phenyl]-2-oxo-pyrazin-1-yl]acetate CAS Name: 2-[3-[3-chloro-5-(phenethylamino)phenyl]-2-oxo-1-pyrazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-[3-chloro-5-(phenethylamino)phenyl]-2-oxopyrazin-1-yl]acetate Traditional Name: 2-[3-[3-chloro-5-(phenethylamino)phenyl]-2-keto-pyrazin-1-yl]acetic acid benzyl ester Formula: C27H24ClN3O3 MolecularWeight: 473.95076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=CC(=CC(=C2)C3=NC=CN(C3=O)CC(=O)OCC4=CC=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=CC(=CC(=C2)C3=NC=CN(C3=O)CC(=O)OCC4=CC=CC=C4)Cl

InChI

InChI=1S/C27H24ClN3O3/c28-23-15-22(16-24(17-23)29-12-11-20-7-3-1-4-8-20)26-27(33)31(14-13-30-26)18-25(32)34-19-21-9-5-2-6-10-21/h1-10,13-17,29H,11-12,18-19H2