ethyl 2-azanyl-4-[2-[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]benzimidazole-1-carboxylate

Systemtic Name: ethyl 2-azanyl-4-[2-[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]benzimidazole-1-carboxylate Openeye Name: ethyl 2-amino-4-[2-[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]benzimidazole-1-carboxylate CAS Name: 2-amino-4-[2-[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]-1-piperazinyl]ethoxy]-1-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-[2-[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]benzimidazole-1-carboxylate Traditional Name: 2-amino-4-[2-[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazino]ethoxy]benzimidazole-1-carboxylic acid ethyl ester Formula: C33H39N7O3 MolecularWeight: 581.70786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2=C(C(=CC=C2)OCCN3CCN(CC3)C4=CC=CC5=C4N=C(N5)C6=CC=C(C=C6)C(C)(C)C)N=C1N

Isomeric SMILES

CCOC(=O)N1C2=C(C(=CC=C2)OCCN3CCN(CC3)C4=CC=CC5=C4N=C(N5)C6=CC=C(C=C6)C(C)(C)C)N=C1N

InChI

InChI=1S/C33H39N7O3/c1-5-42-32(41)40-26-10-7-11-27(29(26)37-31(40)34)43-21-20-38-16-18-39(19-17-38)25-9-6-8-24-28(25)36-30(35-24)22-12-14-23(15-13-22)33(2,3)4/h6-15H,5,16-21H2,1-4H3,(H2,34,37)(H,35,36)