N-[3-azanyl-1-[4-[4-(4-fluorophenyl)piperazin-1-yl]-3-nitro-phenyl]-3-oxidanylidene-propyl]-3-bromanyl-benzamide

Systemtic Name: N-[3-azanyl-1-[4-[4-(4-fluorophenyl)piperazin-1-yl]-3-nitro-phenyl]-3-oxidanylidene-propyl]-3-bromanyl-benzamide Openeye Name: N-[3-amino-1-[4-[4-(4-fluorophenyl)piperazin-1-yl]-3-nitro-phenyl]-3-oxo-propyl]-3-bromo-benzamide CAS Name: N-[3-amino-1-[4-[4-(4-fluorophenyl)-1-piperazinyl]-3-nitrophenyl]-3-oxopropyl]-3-bromobenzamide IUPAC Name: N-[3-amino-1-[4-[4-(4-fluorophenyl)piperazin-1-yl]-3-nitrophenyl]-3-oxopropyl]-3-bromobenzamide Traditional Name: N-[3-amino-1-[4-[4-(4-fluorophenyl)piperazino]-3-nitro-phenyl]-3-keto-propyl]-3-bromo-benzamide Formula: C26H25BrFN5O4 MolecularWeight: 570.410203

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C3=C(C=C(C=C3)C(CC(=O)N)NC(=O)C4=CC(=CC=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C3=C(C=C(C=C3)C(CC(=O)N)NC(=O)C4=CC(=CC=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C26H25BrFN5O4/c27-19-3-1-2-18(14-19)26(35)30-22(16-25(29)34)17-4-9-23(24(15-17)33(36)37)32-12-10-31(11-13-32)21-7-5-20(28)6-8-21/h1-9,14-15,22H,10-13,16H2,(H2,29,34)(H,30,35)