ethyl 3-[4-(3-cyanophenyl)carbonylpiperazin-1-yl]quinoxaline-2-carboxylate

Systemtic Name: ethyl 3-[4-(3-cyanophenyl)carbonylpiperazin-1-yl]quinoxaline-2-carboxylate Openeye Name: ethyl 3-[4-(3-cyanobenzoyl)piperazin-1-yl]quinoxaline-2-carboxylate CAS Name: 3-[4-[(3-cyanophenyl)-oxomethyl]-1-piperazinyl]-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(3-cyanobenzoyl)piperazin-1-yl]quinoxaline-2-carboxylate Traditional Name: 3-[4-(3-cyanobenzoyl)piperazino]quinoxaline-2-carboxylic acid ethyl ester Formula: C23H21N5O3 MolecularWeight: 415.44454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

CCOC(=O)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C23H21N5O3/c1-2-31-23(30)20-21(26-19-9-4-3-8-18(19)25-20)27-10-12-28(13-11-27)22(29)17-7-5-6-16(14-17)15-24/h3-9,14H,2,10-13H2,1H3