2-[(4-nitrophenyl)methyl]-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole

Systemtic Name: 2-[(4-nitrophenyl)methyl]-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole Openeye Name: 2-[(4-nitrophenyl)methyl]-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole CAS Name: 2-[(4-nitrophenyl)methyl]-6-[2-(4-phenyl-1-piperazinyl)ethyl]-1H-benzimidazole IUPAC Name: 2-[(4-nitrophenyl)methyl]-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole Traditional Name: 2-(4-nitrobenzyl)-6-[2-(4-phenylpiperazino)ethyl]-1H-benzimidazole Formula: C26H27N5O2 MolecularWeight: 441.52488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC3=C(C=C2)N=C(N3)CC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCC2=CC3=C(C=C2)N=C(N3)CC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C26H27N5O2/c32-31(33)23-9-6-20(7-10-23)19-26-27-24-11-8-21(18-25(24)28-26)12-13-29-14-16-30(17-15-29)22-4-2-1-3-5-22/h1-11,18H,12-17,19H2,(H,27,28)