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

Systemtic Name: N-[2-(4-dimethylaminophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-nitro-benzamide Openeye Name: N-[2-(4-dimethylaminophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-nitro-benzamide CAS Name: N-[2-(4-dimethylaminophenyl)-2-[4-(4-fluorophenyl)-1-piperazinyl]ethyl]-3-nitrobenzamide IUPAC Name: N-[2-(4-dimethylaminophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-nitrobenzamide Traditional Name: N-[2-(4-dimethylaminophenyl)-2-[4-(4-fluorophenyl)piperazino]ethyl]-3-nitro-benzamide Formula: C27H30FN5O3 MolecularWeight: 491.557203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30FN5O3/c1-30(2)23-10-6-20(7-11-23)26(19-29-27(34)21-4-3-5-25(18-21)33(35)36)32-16-14-31(15-17-32)24-12-8-22(28)9-13-24/h3-13,18,26H,14-17,19H2,1-2H3,(H,29,34)