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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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