N-[2-(4-dimethylaminophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[2-(4-dimethylaminophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[2-(4-dimethylaminophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-methyl-3-nitro-benzamide CAS Name: N-[2-(4-dimethylaminophenyl)-2-[4-(4-fluorophenyl)-1-piperazinyl]ethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[2-(4-dimethylaminophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[2-(4-dimethylaminophenyl)-2-[4-(4-fluorophenyl)piperazino]ethyl]-2-methyl-3-nitro-benzamide Formula: C28H32FN5O3 MolecularWeight: 505.583783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC(C2=CC=C(C=C2)N(C)C)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC(C2=CC=C(C=C2)N(C)C)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C28H32FN5O3/c1-20-25(5-4-6-26(20)34(36)37)28(35)30-19-27(21-7-11-23(12-8-21)31(2)3)33-17-15-32(16-18-33)24-13-9-22(29)10-14-24/h4-14,27H,15-19H2,1-3H3,(H,30,35)