[4-(2,3-dimethylphenyl)piperazin-1-yl]-(4-imidazol-1-yl-3-nitro-phenyl)methanone

Systemtic Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-(4-imidazol-1-yl-3-nitro-phenyl)methanone Openeye Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-(4-imidazol-1-yl-3-nitro-phenyl)methanone CAS Name: [4-(2,3-dimethylphenyl)-1-piperazinyl]-[4-(1-imidazolyl)-3-nitrophenyl]methanone IUPAC Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-(4-imidazol-1-yl-3-nitrophenyl)methanone Traditional Name: [4-(2,3-dimethylphenyl)piperazino]-(4-imidazol-1-yl-3-nitro-phenyl)methanone Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-])C

InChI

InChI=1S/C22H23N5O3/c1-16-4-3-5-19(17(16)2)24-10-12-25(13-11-24)22(28)18-6-7-20(21(14-18)27(29)30)26-9-8-23-15-26/h3-9,14-15H,10-13H2,1-2H3