(2S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methyl-4-nitro-phenyl)propanamide

Systemtic Name: (2S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methyl-4-nitro-phenyl)propanamide Openeye Name: (2S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methyl-4-nitro-phenyl)propanamide CAS Name: (2S)-2-[4-(2-fluorophenyl)-1-piperazinyl]-N-(2-methyl-4-nitrophenyl)propanamide IUPAC Name: (2S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methyl-4-nitrophenyl)propanamide Traditional Name: (2S)-2-[4-(2-fluorophenyl)piperazino]-N-(2-methyl-4-nitro-phenyl)propionamide Formula: C20H23FN4O3 MolecularWeight: 386.420023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(C)N2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)[C@H](C)N2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C20H23FN4O3/c1-14-13-16(25(27)28)7-8-18(14)22-20(26)15(2)23-9-11-24(12-10-23)19-6-4-3-5-17(19)21/h3-8,13,15H,9-12H2,1-2H3,(H,22,26)/t15-/m0/s1