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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C25H25FN4O3/c1-2-18-5-3-4-6-22(18)27-25(31)19-7-12-23(24(17-19)30(32)33)29-15-13-28(14-16-29)21-10-8-20(26)9-11-21/h3-12,17H,2,13-16H2,1H3,(H,27,31)