[2-[[(4-chlorophenyl)-phenyl-methyl]amino]-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate

Systemtic Name: [2-[[(4-chlorophenyl)-phenyl-methyl]amino]-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate Openeye Name: [2-[[(4-chlorophenyl)-phenyl-methyl]amino]-2-oxo-ethyl] 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid [2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid [2-[[(4-chlorophenyl)-phenyl-methyl]amino]-2-keto-ethyl] ester Formula: C21H18ClN3O3 MolecularWeight: 395.83892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)OCC(=O)NC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)OCC(=O)NC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H18ClN3O3/c1-14-11-24-18(12-23-14)21(27)28-13-19(26)25-20(15-5-3-2-4-6-15)16-7-9-17(22)10-8-16/h2-12,20H,13H2,1H3,(H,25,26)