2-(4-ethylphenyl)-4-[4-[2-(3-methyl-4-nitro-phenoxy)ethyl]piperazin-1-yl]-1H-benzimidazole

Systemtic Name: 2-(4-ethylphenyl)-4-[4-[2-(3-methyl-4-nitro-phenoxy)ethyl]piperazin-1-yl]-1H-benzimidazole Openeye Name: 2-(4-ethylphenyl)-4-[4-[2-(3-methyl-4-nitro-phenoxy)ethyl]piperazin-1-yl]-1H-benzimidazole CAS Name: 2-(4-ethylphenyl)-4-[4-[2-(3-methyl-4-nitrophenoxy)ethyl]-1-piperazinyl]-1H-benzimidazole IUPAC Name: 2-(4-ethylphenyl)-4-[4-[2-(3-methyl-4-nitrophenoxy)ethyl]piperazin-1-yl]-1H-benzimidazole Traditional Name: 2-(4-ethylphenyl)-4-[4-[2-(3-methyl-4-nitro-phenoxy)ethyl]piperazino]-1H-benzimidazole Formula: C28H31N5O3 MolecularWeight: 485.57744

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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-])C

Isomeric SMILES

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

InChI

InChI=1S/C28H31N5O3/c1-3-21-7-9-22(10-8-21)28-29-24-5-4-6-26(27(24)30-28)32-15-13-31(14-16-32)17-18-36-23-11-12-25(33(34)35)20(2)19-23/h4-12,19H,3,13-18H2,1-2H3,(H,29,30)