[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] quinoxaline-5-carboxylate

Systemtic Name: [2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] quinoxaline-5-carboxylate Openeye Name: [2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-oxo-ethyl] quinoxaline-5-carboxylate CAS Name: 5-quinoxalinecarboxylic acid [2-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl] quinoxaline-5-carboxylate Traditional Name: quinoxaline-5-carboxylic acid [2-[4-(5-chloro-2-methyl-phenyl)piperazino]-2-keto-ethyl] ester Formula: C22H21ClN4O3 MolecularWeight: 424.88014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)COC(=O)C3=C4C(=CC=C3)N=CC=N4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)COC(=O)C3=C4C(=CC=C3)N=CC=N4

InChI

InChI=1S/C22H21ClN4O3/c1-15-5-6-16(23)13-19(15)26-9-11-27(12-10-26)20(28)14-30-22(29)17-3-2-4-18-21(17)25-8-7-24-18/h2-8,13H,9-12,14H2,1H3