2-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]-N-(2-methyl-3-nitro-phenyl)propanamide

Systemtic Name: 2-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]-N-(2-methyl-3-nitro-phenyl)propanamide Openeye Name: 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(2-methyl-3-nitro-phenyl)propanamide CAS Name: 2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]-N-(2-methyl-3-nitrophenyl)propanamide IUPAC Name: 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(2-methyl-3-nitrophenyl)propanamide Traditional Name: 2-[4-(4-fluorobenzoyl)piperazino]-N-(2-methyl-3-nitro-phenyl)propionamide Formula: C21H23FN4O4 MolecularWeight: 414.430123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN4O4/c1-14-18(4-3-5-19(14)26(29)30)23-20(27)15(2)24-10-12-25(13-11-24)21(28)16-6-8-17(22)9-7-16/h3-9,15H,10-13H2,1-2H3,(H,23,27)