N-[1-(4-fluorophenyl)ethyl]-N-methyl-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[1-(4-fluorophenyl)ethyl]-N-methyl-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: N-[1-(4-fluorophenyl)ethyl]-N-methyl-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide CAS Name: N-[1-(4-fluorophenyl)ethyl]-N-methyl-4-(4-methyl-1-piperazinyl)-3-nitrobenzamide IUPAC Name: N-[1-(4-fluorophenyl)ethyl]-N-methyl-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide Traditional Name: N-[1-(4-fluorophenyl)ethyl]-N-methyl-4-(4-methylpiperazino)-3-nitro-benzamide Formula: C21H25FN4O3 MolecularWeight: 400.446603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)N(C)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=C(C=C1)F)N(C)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H25FN4O3/c1-15(16-4-7-18(22)8-5-16)24(3)21(27)17-6-9-19(20(14-17)26(28)29)25-12-10-23(2)11-13-25/h4-9,14-15H,10-13H2,1-3H3