N-[4-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[4-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[4-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazinyl]phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-[4-(2-fluorobenzoyl)piperazino]phenyl]-3-nitro-4-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)C(=O)NC3=CC=C(C=C3)N4CCN(CC4)C(=O)C5=CC=CC=C5F)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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