N-(2-bromanyl-4-methyl-phenyl)-2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[4-(6-nitro-3-pyridyl)piperazin-1-yl]acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]acetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[4-(6-nitro-3-pyridyl)piperazino]acetamide Formula: C18H20BrN5O3 MolecularWeight: 434.2871

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CN2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CN2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C18H20BrN5O3/c1-13-2-4-16(15(19)10-13)21-18(25)12-22-6-8-23(9-7-22)14-3-5-17(20-11-14)24(26)27/h2-5,10-11H,6-9,12H2,1H3,(H,21,25)