1-[2-butyl-1-[2-methyl-4-phenyl-3-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]benzimidazol-5-yl]-3-(phenylmethyl)-1,3-diazinan-2-one

Systemtic Name: 1-[2-butyl-1-[2-methyl-4-phenyl-3-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]benzimidazol-5-yl]-3-(phenylmethyl)-1,3-diazinan-2-one Openeye Name: 1-benzyl-3-[2-butyl-1-[2-methyl-4-phenyl-3-(1-trityltetrazol-5-yl)phenyl]benzimidazol-5-yl]hexahydropyrimidin-2-one CAS Name: 1-[2-butyl-1-[2-methyl-4-phenyl-3-[1-(triphenylmethyl)-5-tetrazolyl]phenyl]-5-benzimidazolyl]-3-(phenylmethyl)-1,3-diazinan-2-one IUPAC Name: 1-benzyl-3-[2-butyl-1-[2-methyl-4-phenyl-3-(1-trityltetrazol-5-yl)phenyl]benzimidazol-5-yl]-1,3-diazinan-2-one Traditional Name: 1-benzyl-3-[2-butyl-1-[2-methyl-4-phenyl-3-(1-trityltetrazol-5-yl)phenyl]benzimidazol-5-yl]hexahydropyrimidin-2-one Formula: C55H50N8O MolecularWeight: 839.0385

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)C5=NN=NN5C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C)C=CC(=C2)N9CCCN(C9=O)CC1=CC=CC=C1

Isomeric SMILES

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)C5=NN=NN5C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C)C=CC(=C2)N9CCCN(C9=O)CC1=CC=CC=C1

InChI

InChI=1S/C55H50N8O/c1-3-4-31-51-56-48-38-46(61-37-20-36-60(54(61)64)39-41-21-10-5-11-22-41)32-34-50(48)62(51)49-35-33-47(42-23-12-6-13-24-42)52(40(49)2)53-57-58-59-63(53)55(43-25-14-7-15-26-43,44-27-16-8-17-28-44)45-29-18-9-19-30-45/h5-19,21-30,32-35,38H,3-4,20,31,36-37,39H2,1-2H3