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

Systemtic Name: 3-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-N-(2-methyl-5-nitro-phenyl)propanamide Openeye Name: 3-[4-(5-bromo-2-pyridyl)piperazin-1-yl]-N-(2-methyl-5-nitro-phenyl)propanamide CAS Name: 3-[4-(5-bromo-2-pyridinyl)-1-piperazinyl]-N-(2-methyl-5-nitrophenyl)propanamide IUPAC Name: 3-[4-(5-bromopyridin-2-yl)piperazin-1-yl]-N-(2-methyl-5-nitrophenyl)propanamide Traditional Name: 3-[4-(5-bromo-2-pyridyl)piperazino]-N-(2-methyl-5-nitro-phenyl)propionamide Formula: C19H22BrN5O3 MolecularWeight: 448.31368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCN2CCN(CC2)C3=NC=C(C=C3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCN2CCN(CC2)C3=NC=C(C=C3)Br

InChI

InChI=1S/C19H22BrN5O3/c1-14-2-4-16(25(27)28)12-17(14)22-19(26)6-7-23-8-10-24(11-9-23)18-5-3-15(20)13-21-18/h2-5,12-13H,6-11H2,1H3,(H,22,26)