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

Systemtic Name: [4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-(2-methyl-3-nitro-phenyl)methanone Openeye Name: [4-(5-bromo-2-pyridyl)piperazin-1-yl]-(2-methyl-3-nitro-phenyl)methanone CAS Name: [4-(5-bromo-2-pyridinyl)-1-piperazinyl]-(2-methyl-3-nitrophenyl)methanone IUPAC Name: [4-(5-bromopyridin-2-yl)piperazin-1-yl]-(2-methyl-3-nitrophenyl)methanone Traditional Name: [4-(5-bromo-2-pyridyl)piperazino]-(2-methyl-3-nitro-phenyl)methanone Formula: C17H17BrN4O3 MolecularWeight: 405.24588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)C3=NC=C(C=C3)Br

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)C3=NC=C(C=C3)Br

InChI

InChI=1S/C17H17BrN4O3/c1-12-14(3-2-4-15(12)22(24)25)17(23)21-9-7-20(8-10-21)16-6-5-13(18)11-19-16/h2-6,11H,7-10H2,1H3