[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-(4-imidazol-1-yl-3-nitro-phenyl)methanone

Systemtic Name: [4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-(4-imidazol-1-yl-3-nitro-phenyl)methanone Openeye Name: [4-(5-bromo-2-pyridyl)piperazin-1-yl]-(4-imidazol-1-yl-3-nitro-phenyl)methanone CAS Name: [4-(5-bromo-2-pyridinyl)-1-piperazinyl]-[4-(1-imidazolyl)-3-nitrophenyl]methanone IUPAC Name: [4-(5-bromopyridin-2-yl)piperazin-1-yl]-(4-imidazol-1-yl-3-nitrophenyl)methanone Traditional Name: [4-(5-bromo-2-pyridyl)piperazino]-(4-imidazol-1-yl-3-nitro-phenyl)methanone Formula: C19H17BrN6O3 MolecularWeight: 457.28068

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)Br)C(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)Br)C(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H17BrN6O3/c20-15-2-4-18(22-12-15)23-7-9-24(10-8-23)19(27)14-1-3-16(17(11-14)26(28)29)25-6-5-21-13-25/h1-6,11-13H,7-10H2