(2,3-diethylquinoxalin-6-yl)-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]methanone

Systemtic Name: (2,3-diethylquinoxalin-6-yl)-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]methanone Openeye Name: (2,3-diethylquinoxalin-6-yl)-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]methanone CAS Name: (2,3-diethyl-6-quinoxalinyl)-[4-[(5-nitro-2-thiophenyl)-oxomethyl]-1-piperazinyl]methanone IUPAC Name: (2,3-diethylquinoxalin-6-yl)-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]methanone Traditional Name: (2,3-diethylquinoxalin-6-yl)-[4-(5-nitrothiophene-2-carbonyl)piperazino]methanone Formula: C22H23N5O4S MolecularWeight: 453.51412

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)C4=CC=C(S4)[N+](=O)[O-])N=C1CC

Isomeric SMILES

CCC1=NC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)C4=CC=C(S4)[N+](=O)[O-])N=C1CC

InChI

InChI=1S/C22H23N5O4S/c1-3-15-16(4-2)24-18-13-14(5-6-17(18)23-15)21(28)25-9-11-26(12-10-25)22(29)19-7-8-20(32-19)27(30)31/h5-8,13H,3-4,9-12H2,1-2H3