[3-[6-(azepan-1-yl)-2-butyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] tert-butyl carbonate

Systemtic Name: [3-[6-(azepan-1-yl)-2-butyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] tert-butyl carbonate Openeye Name: [3-[6-(azepan-1-yl)-2-butyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] tert-butyl carbonate CAS Name: carbonic acid [3-[6-(1-azepanyl)-2-butyl-1-benzimidazolyl]-2-methyl-6-phenylphenyl] tert-butyl ester IUPAC Name: [3-[6-(azepan-1-yl)-2-butylbenzimidazol-1-yl]-2-methyl-6-phenylphenyl] tert-butyl carbonate Traditional Name: carbonic acid [3-[6-(azepan-1-yl)-2-butyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] tert-butyl ester Formula: C35H43N3O3 MolecularWeight: 553.73422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)OC(C)(C)C)C)C=C(C=C2)N5CCCCCC5

Isomeric SMILES

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)OC(C)(C)C)C)C=C(C=C2)N5CCCCCC5

InChI

InChI=1S/C35H43N3O3/c1-6-7-17-32-36-29-20-18-27(37-22-13-8-9-14-23-37)24-31(29)38(32)30-21-19-28(26-15-11-10-12-16-26)33(25(30)2)40-34(39)41-35(3,4)5/h10-12,15-16,18-21,24H,6-9,13-14,17,22-23H2,1-5H3