[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone

Systemtic Name: [4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone Openeye Name: [4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone CAS Name: [4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-(2,3-dimethyl-6-quinoxalinyl)methanone IUPAC Name: [4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone Traditional Name: [4-(4-chloro-2-nitro-phenyl)piperazino]-(2,3-dimethylquinoxalin-6-yl)methanone Formula: C21H20ClN5O3 MolecularWeight: 425.8682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-])N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-])N=C1C

InChI

InChI=1S/C21H20ClN5O3/c1-13-14(2)24-18-11-15(3-5-17(18)23-13)21(28)26-9-7-25(8-10-26)19-6-4-16(22)12-20(19)27(29)30/h3-6,11-12H,7-10H2,1-2H3