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

Systemtic Name: 2-butyl-6-(1-methoxypropyl)-3-[[4-[2-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]quinazolin-4-one Openeye Name: 2-butyl-6-(1-methoxypropyl)-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one CAS Name: 2-butyl-6-(1-methoxypropyl)-3-[[4-[2-[1-(triphenylmethyl)-5-tetrazolyl]phenyl]phenyl]methyl]-4-quinazolinone IUPAC Name: 2-butyl-6-(1-methoxypropyl)-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one Traditional Name: 2-butyl-6-(1-methoxypropyl)-3-[4-[2-(1-trityltetrazol-5-yl)phenyl]benzyl]quinazolin-4-one Formula: C49H46N6O2 MolecularWeight: 750.92854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=C(C=C2)C(CC)OC)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NN=NN5C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

Isomeric SMILES

CCCCC1=NC2=C(C=C(C=C2)C(CC)OC)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NN=NN5C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C49H46N6O2/c1-4-6-26-46-50-44-32-31-37(45(5-2)57-3)33-43(44)48(56)54(46)34-35-27-29-36(30-28-35)41-24-16-17-25-42(41)47-51-52-53-55(47)49(38-18-10-7-11-19-38,39-20-12-8-13-21-39)40-22-14-9-15-23-40/h7-25,27-33,45H,4-6,26,34H2,1-3H3