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

Systemtic Name: (3-fluoranyl-4-methyl-5-nitro-phenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone Openeye Name: (3-fluoro-4-methyl-5-nitro-phenyl)-[4-(m-tolylmethyl)piperazin-1-yl]methanone CAS Name: (3-fluoro-4-methyl-5-nitrophenyl)-[4-[(3-methylphenyl)methyl]-1-piperazinyl]methanone IUPAC Name: (3-fluoro-4-methyl-5-nitrophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone Traditional Name: (3-fluoro-4-methyl-5-nitro-phenyl)-[4-(3-methylbenzyl)piperazino]methanone Formula: C20H22FN3O3 MolecularWeight: 371.405383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=CC(=C(C(=C3)F)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=CC(=C(C(=C3)F)C)[N+](=O)[O-]

InChI

InChI=1S/C20H22FN3O3/c1-14-4-3-5-16(10-14)13-22-6-8-23(9-7-22)20(25)17-11-18(21)15(2)19(12-17)24(26)27/h3-5,10-12H,6-9,13H2,1-2H3