[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(3-fluoranyl-4-methyl-5-nitro-phenyl)methanone

Systemtic Name: [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(3-fluoranyl-4-methyl-5-nitro-phenyl)methanone Openeye Name: [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(3-fluoro-4-methyl-5-nitro-phenyl)methanone CAS Name: [4-[(4-ethoxyphenyl)methyl]-1-piperazinyl]-(3-fluoro-4-methyl-5-nitrophenyl)methanone IUPAC Name: [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(3-fluoro-4-methyl-5-nitrophenyl)methanone Traditional Name: [4-(4-ethoxybenzyl)piperazino]-(3-fluoro-4-methyl-5-nitro-phenyl)methanone Formula: C21H24FN3O4 MolecularWeight: 401.431363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC(=C(C(=C3)F)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC(=C(C(=C3)F)C)[N+](=O)[O-]

InChI

InChI=1S/C21H24FN3O4/c1-3-29-18-6-4-16(5-7-18)14-23-8-10-24(11-9-23)21(26)17-12-19(22)15(2)20(13-17)25(27)28/h4-7,12-13H,3,8-11,14H2,1-2H3