2-[4-[4-(4-phenylpiperazin-1-yl)but-1-ynyl]phenyl]-1H-benzimidazole

Systemtic Name: 2-[4-[4-(4-phenylpiperazin-1-yl)but-1-ynyl]phenyl]-1H-benzimidazole Openeye Name: 2-[4-[4-(4-phenylpiperazin-1-yl)but-1-ynyl]phenyl]-1H-benzimidazole CAS Name: 2-[4-[4-(4-phenyl-1-piperazinyl)but-1-ynyl]phenyl]-1H-benzimidazole IUPAC Name: 2-[4-[4-(4-phenylpiperazin-1-yl)but-1-ynyl]phenyl]-1H-benzimidazole Traditional Name: 2-[4-[4-(4-phenylpiperazino)but-1-ynyl]phenyl]-1H-benzimidazole Formula: C27H26N4 MolecularWeight: 406.52214

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC#CC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCC#CC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4/c1-2-9-24(10-3-1)31-20-18-30(19-21-31)17-7-6-8-22-13-15-23(16-14-22)27-28-25-11-4-5-12-26(25)29-27/h1-5,9-16H,7,17-21H2,(H,28,29)