[2-[1-[(2-chlorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate

Systemtic Name: [2-[1-[(2-chlorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate Openeye Name: [2-[1-[(2-chlorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid [2-[1-[(2-chlorophenyl)methyl]-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid [2-[1-(2-chlorobenzyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C20H19ClN4O3 MolecularWeight: 398.84286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2Cl)C)C(=O)COC(=O)C3=NC=CN=C3N

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2Cl)C)C(=O)COC(=O)C3=NC=CN=C3N

InChI

InChI=1S/C20H19ClN4O3/c1-12-9-15(13(2)25(12)10-14-5-3-4-6-16(14)21)17(26)11-28-20(27)18-19(22)24-8-7-23-18/h3-9H,10-11H2,1-2H3,(H2,22,24)