2-(4-ethylphenyl)-4-[4-[2-(3-nitrophenoxy)ethyl]piperazin-1-yl]-1H-benzimidazole

Systemtic Name: 2-(4-ethylphenyl)-4-[4-[2-(3-nitrophenoxy)ethyl]piperazin-1-yl]-1H-benzimidazole Openeye Name: 2-(4-ethylphenyl)-4-[4-[2-(3-nitrophenoxy)ethyl]piperazin-1-yl]-1H-benzimidazole CAS Name: 2-(4-ethylphenyl)-4-[4-[2-(3-nitrophenoxy)ethyl]-1-piperazinyl]-1H-benzimidazole IUPAC Name: 2-(4-ethylphenyl)-4-[4-[2-(3-nitrophenoxy)ethyl]piperazin-1-yl]-1H-benzimidazole Traditional Name: 2-(4-ethylphenyl)-4-[4-[2-(3-nitrophenoxy)ethyl]piperazino]-1H-benzimidazole Formula: C27H29N5O3 MolecularWeight: 471.55086

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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=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C27H29N5O3/c1-2-20-9-11-21(12-10-20)27-28-24-7-4-8-25(26(24)29-27)31-15-13-30(14-16-31)17-18-35-23-6-3-5-22(19-23)32(33)34/h3-12,19H,2,13-18H2,1H3,(H,28,29)