N-[(4-fluorophenyl)methyl]-3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)benzamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)benzamide Openeye Name: N-[(4-fluorophenyl)methyl]-3-nitro-4-[4-(2-pyridyl)piperazin-1-yl]benzamide CAS Name: N-[(4-fluorophenyl)methyl]-3-nitro-4-[4-(2-pyridinyl)-1-piperazinyl]benzamide IUPAC Name: N-[(4-fluorophenyl)methyl]-3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)benzamide Traditional Name: N-(4-fluorobenzyl)-3-nitro-4-[4-(2-pyridyl)piperazino]benzamide Formula: C23H22FN5O3 MolecularWeight: 435.450883

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)F)[N+](=O)[O-])C4=CC=CC=N4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)F)[N+](=O)[O-])C4=CC=CC=N4

InChI

InChI=1S/C23H22FN5O3/c24-19-7-4-17(5-8-19)16-26-23(30)18-6-9-20(21(15-18)29(31)32)27-11-13-28(14-12-27)22-3-1-2-10-25-22/h1-10,15H,11-14,16H2,(H,26,30)