1-(4-bromophenyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]-1-phenyl-but-2-yn-1-ol

Systemtic Name: 1-(4-bromophenyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]-1-phenyl-but-2-yn-1-ol Openeye Name: 1-(4-bromophenyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]-1-phenyl-but-2-yn-1-ol CAS Name: 1-(4-bromophenyl)-4-[4-(4-nitrophenyl)-1-piperazinyl]-1-phenyl-2-butyn-1-ol IUPAC Name: 1-(4-bromophenyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]-1-phenylbut-2-yn-1-ol Traditional Name: 1-(4-bromophenyl)-4-[4-(4-nitrophenyl)piperazino]-1-phenyl-but-2-yn-1-ol Formula: C26H24BrN3O3 MolecularWeight: 506.39106

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC#CC(C2=CC=CC=C2)(C3=CC=C(C=C3)Br)O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC#CC(C2=CC=CC=C2)(C3=CC=C(C=C3)Br)O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H24BrN3O3/c27-23-9-7-22(8-10-23)26(31,21-5-2-1-3-6-21)15-4-16-28-17-19-29(20-18-28)24-11-13-25(14-12-24)30(32)33/h1-3,5-14,31H,16-20H2