[(2S)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] quinoxaline-6-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] quinoxaline-6-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] quinoxaline-6-carboxylate CAS Name: 6-quinoxalinecarboxylic acid [(2S)-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] quinoxaline-6-carboxylate Traditional Name: quinoxaline-6-carboxylic acid [(1S)-2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)C3=CC4=NC=CN=C4C=C3

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)C3=CC4=NC=CN=C4C=C3

InChI

InChI=1S/C22H22N4O3/c1-16(29-22(28)17-7-8-19-20(15-17)24-10-9-23-19)21(27)26-13-11-25(12-14-26)18-5-3-2-4-6-18/h2-10,15-16H,11-14H2,1H3/t16-/m0/s1