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

Systemtic Name: N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]-2-methyl-3-nitro-benzamide CAS Name: N-[4-[4-[(2-fluorophenyl)methyl]-1-piperazinyl]phenyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[4-[4-(2-fluorobenzyl)piperazino]phenyl]-2-methyl-3-nitro-benzamide Formula: C25H25FN4O3 MolecularWeight: 448.489403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4F

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4F

InChI

InChI=1S/C25H25FN4O3/c1-18-22(6-4-8-24(18)30(32)33)25(31)27-20-9-11-21(12-10-20)29-15-13-28(14-16-29)17-19-5-2-3-7-23(19)26/h2-12H,13-17H2,1H3,(H,27,31)