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

Systemtic Name: 3-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]-N-(2-methyl-4-nitro-phenyl)propanamide Openeye Name: 3-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(2-methyl-4-nitro-phenyl)propanamide CAS Name: 3-[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]-N-(2-methyl-4-nitrophenyl)propanamide IUPAC Name: 3-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(2-methyl-4-nitrophenyl)propanamide Traditional Name: 3-[4-(4-fluorobenzoyl)piperazino]-N-(2-methyl-4-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)CCN2CCN(CC2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN4O4/c1-15-14-18(26(29)30)6-7-19(15)23-20(27)8-9-24-10-12-25(13-11-24)21(28)16-2-4-17(22)5-3-16/h2-7,14H,8-13H2,1H3,(H,23,27)