[4-[(4-chloranyl-3-methyl-phenyl)carbamoyl]phenyl]methyl 5-methylpyrazine-2-carboxylate

Systemtic Name: [4-[(4-chloranyl-3-methyl-phenyl)carbamoyl]phenyl]methyl 5-methylpyrazine-2-carboxylate Openeye Name: [4-[(4-chloro-3-methyl-phenyl)carbamoyl]phenyl]methyl 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid [4-[(4-chloro-3-methylanilino)-oxomethyl]phenyl]methyl ester IUPAC Name: [4-[(4-chloro-3-methylphenyl)carbamoyl]phenyl]methyl 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid [4-[(4-chloro-3-methyl-phenyl)carbamoyl]benzyl] ester Formula: C21H18ClN3O3 MolecularWeight: 395.83892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)COC(=O)C3=CN=C(C=N3)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)COC(=O)C3=CN=C(C=N3)C)Cl

InChI

InChI=1S/C21H18ClN3O3/c1-13-9-17(7-8-18(13)22)25-20(26)16-5-3-15(4-6-16)12-28-21(27)19-11-23-14(2)10-24-19/h3-11H,12H2,1-2H3,(H,25,26)