3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methyl-5-nitro-phenyl)propanamide

Systemtic Name: 3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methyl-5-nitro-phenyl)propanamide Openeye Name: 3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methyl-5-nitro-phenyl)propanamide CAS Name: 3-[4-[(2-fluorophenyl)methyl]-1-piperazinyl]-N-(2-methyl-5-nitrophenyl)propanamide IUPAC Name: 3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methyl-5-nitrophenyl)propanamide Traditional Name: 3-[4-(2-fluorobenzyl)piperazino]-N-(2-methyl-5-nitro-phenyl)propionamide Formula: C21H25FN4O3 MolecularWeight: 400.446603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCN2CCN(CC2)CC3=CC=CC=C3F

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCN2CCN(CC2)CC3=CC=CC=C3F

InChI

InChI=1S/C21H25FN4O3/c1-16-6-7-18(26(28)29)14-20(16)23-21(27)8-9-24-10-12-25(13-11-24)15-17-4-2-3-5-19(17)22/h2-7,14H,8-13,15H2,1H3,(H,23,27)