2-butyl-6-(2,3-dihydrofuran-2-yl)-3-[[4-[2-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]quinazolin-4-one

Systemtic Name: 2-butyl-6-(2,3-dihydrofuran-2-yl)-3-[[4-[2-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]quinazolin-4-one Openeye Name: 2-butyl-6-(2,3-dihydrofuran-2-yl)-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one CAS Name: 2-butyl-6-(2,3-dihydrofuran-2-yl)-3-[[4-[2-[1-(triphenylmethyl)-5-tetrazolyl]phenyl]phenyl]methyl]-4-quinazolinone IUPAC Name: 2-butyl-6-(2,3-dihydrofuran-2-yl)-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one Traditional Name: 2-butyl-6-(2,3-dihydrofuran-2-yl)-3-[4-[2-(1-trityltetrazol-5-yl)phenyl]benzyl]quinazolin-4-one Formula: C49H42N6O2 MolecularWeight: 746.89678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=C(C=C2)C3CC=CO3)C(=O)N1CC4=CC=C(C=C4)C5=CC=CC=C5C6=NN=NN6C(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9

Isomeric SMILES

CCCCC1=NC2=C(C=C(C=C2)C3CC=CO3)C(=O)N1CC4=CC=C(C=C4)C5=CC=CC=C5C6=NN=NN6C(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C49H42N6O2/c1-2-3-25-46-50-44-31-30-37(45-24-15-32-57-45)33-43(44)48(56)54(46)34-35-26-28-36(29-27-35)41-22-13-14-23-42(41)47-51-52-53-55(47)49(38-16-7-4-8-17-38,39-18-9-5-10-19-39)40-20-11-6-12-21-40/h4-23,26-33,45H,2-3,24-25,34H2,1H3