5-[2-[4-[2-(4-ethylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]-2-nitro-phenol

Systemtic Name: 5-[2-[4-[2-(4-ethylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]-2-nitro-phenol Openeye Name: 5-[2-[4-[2-(4-ethylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]-2-nitro-phenol CAS Name: 5-[2-[4-[2-(4-ethylphenyl)-1H-benzimidazol-4-yl]-1-piperazinyl]ethoxy]-2-nitrophenol IUPAC Name: 5-[2-[4-[2-(4-ethylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]-2-nitrophenol Traditional Name: 5-[2-[4-[2-(4-ethylphenyl)-1H-benzimidazol-4-yl]piperazino]ethoxy]-2-nitro-phenol Formula: C27H29N5O4 MolecularWeight: 487.55026

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=C(N2)C=CC=C3N4CCN(CC4)CCOC5=CC(=C(C=C5)[N+](=O)[O-])O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=C(N2)C=CC=C3N4CCN(CC4)CCOC5=CC(=C(C=C5)[N+](=O)[O-])O

InChI

InChI=1S/C27H29N5O4/c1-2-19-6-8-20(9-7-19)27-28-22-4-3-5-24(26(22)29-27)31-14-12-30(13-15-31)16-17-36-21-10-11-23(32(34)35)25(33)18-21/h3-11,18,33H,2,12-17H2,1H3,(H,28,29)