N-[5-chloranyl-2-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[5-chloranyl-2-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[5-chloro-2-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[5-chloro-2-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazinyl]phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[5-chloro-2-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[5-chloro-2-[4-(2-fluorobenzoyl)piperazino]phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C28H27ClFN5O4 MolecularWeight: 551.996483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27ClFN5O4/c29-20-8-10-24(33-13-15-34(16-14-33)28(37)21-5-1-2-6-22(21)30)23(18-20)31-27(36)19-7-9-25(26(17-19)35(38)39)32-11-3-4-12-32/h1-2,5-10,17-18H,3-4,11-16H2,(H,31,36)