tert-butyl [3-[2-butyl-6-[2-oxidanylidene-3-(phenylmethyl)-1,3-diazinan-1-yl]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate

Systemtic Name: tert-butyl [3-[2-butyl-6-[2-oxidanylidene-3-(phenylmethyl)-1,3-diazinan-1-yl]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate Openeye Name: [3-[6-(3-benzyl-2-oxo-hexahydropyrimidin-1-yl)-2-butyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] tert-butyl carbonate CAS Name: carbonic acid tert-butyl [3-[2-butyl-6-[2-oxo-3-(phenylmethyl)-1,3-diazinan-1-yl]-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: [3-[6-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-2-butylbenzimidazol-1-yl]-2-methyl-6-phenylphenyl] tert-butyl carbonate Traditional Name: carbonic acid [3-[6-(3-benzyl-2-keto-hexahydropyrimidin-1-yl)-2-butyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] tert-butyl ester Formula: C40H44N4O4 MolecularWeight: 644.80176

Click to see the large picture

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)N5CCCN(C5=O)CC6=CC=CC=C6

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)N5CCCN(C5=O)CC6=CC=CC=C6

InChI

InChI=1S/C40H44N4O4/c1-6-7-19-36-41-33-22-20-31(43-25-14-24-42(38(43)45)27-29-15-10-8-11-16-29)26-35(33)44(36)34-23-21-32(30-17-12-9-13-18-30)37(28(34)2)47-39(46)48-40(3,4)5/h8-13,15-18,20-23,26H,6-7,14,19,24-25,27H2,1-5H3