[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-(2,7-dimethylquinolin-3-yl)methanone

Systemtic Name: [4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-(2,7-dimethylquinolin-3-yl)methanone Openeye Name: [4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-(2,7-dimethyl-3-quinolyl)methanone CAS Name: [4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-(2,7-dimethyl-3-quinolinyl)methanone IUPAC Name: [4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-(2,7-dimethylquinolin-3-yl)methanone Traditional Name: [4-(4-chloro-2-nitro-phenyl)piperazino]-(2,7-dimethyl-3-quinolyl)methanone Formula: C22H21ClN4O3 MolecularWeight: 424.88014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C22H21ClN4O3/c1-14-3-4-16-12-18(15(2)24-19(16)11-14)22(28)26-9-7-25(8-10-26)20-6-5-17(23)13-21(20)27(29)30/h3-6,11-13H,7-10H2,1-2H3