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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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