N-(2-bromanyl-4-methyl-phenyl)-2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]propanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]propanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]propanamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]propanamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]propanamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[4-(4-chloro-2-nitro-phenyl)piperazino]propionamide Formula: C20H22BrClN4O3 MolecularWeight: 481.77068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrClN4O3/c1-13-3-5-17(16(21)11-13)23-20(27)14(2)24-7-9-25(10-8-24)18-6-4-15(22)12-19(18)26(28)29/h3-6,11-12,14H,7-10H2,1-2H3,(H,23,27)