N-[[3-fluoranyl-4-[4-(phenylmethyl)piperazin-1-yl]phenyl]methyl]-5-nitro-furan-2-carboxamide

Systemtic Name: N-[[3-fluoranyl-4-[4-(phenylmethyl)piperazin-1-yl]phenyl]methyl]-5-nitro-furan-2-carboxamide Openeye Name: N-[[4-(4-benzylpiperazin-1-yl)-3-fluoro-phenyl]methyl]-5-nitro-furan-2-carboxamide CAS Name: N-[[3-fluoro-4-[4-(phenylmethyl)-1-piperazinyl]phenyl]methyl]-5-nitro-2-furancarboxamide IUPAC Name: N-[[4-(4-benzylpiperazin-1-yl)-3-fluorophenyl]methyl]-5-nitrofuran-2-carboxamide Traditional Name: N-[4-(4-benzylpiperazino)-3-fluoro-benzyl]-5-nitro-2-furamide Formula: C23H23FN4O4 MolecularWeight: 438.451523

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=C(C=C3)CNC(=O)C4=CC=C(O4)[N+](=O)[O-])F

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=C(C=C3)CNC(=O)C4=CC=C(O4)[N+](=O)[O-])F

InChI

InChI=1S/C23H23FN4O4/c24-19-14-18(15-25-23(29)21-8-9-22(32-21)28(30)31)6-7-20(19)27-12-10-26(11-13-27)16-17-4-2-1-3-5-17/h1-9,14H,10-13,15-16H2,(H,25,29)