N-[4-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]phenyl]-5-nitro-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[4-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]phenyl]-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: N-[4-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazinyl]phenyl]-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-[4-(2-fluorobenzoyl)piperazino]phenyl]-5-nitro-2-pyrrolidino-benzamide Formula: C28H28FN5O4 MolecularWeight: 517.551423

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)N4CCN(CC4)C(=O)C5=CC=CC=C5F

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)N4CCN(CC4)C(=O)C5=CC=CC=C5F

InChI

InChI=1S/C28H28FN5O4/c29-25-6-2-1-5-23(25)28(36)33-17-15-31(16-18-33)21-9-7-20(8-10-21)30-27(35)24-19-22(34(37)38)11-12-26(24)32-13-3-4-14-32/h1-2,5-12,19H,3-4,13-18H2,(H,30,35)