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

Systemtic Name: 3-butyl-2-[[4-[2-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]isoquinolin-1-one Openeye Name: 3-butyl-2-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]isoquinolin-1-one CAS Name: 3-butyl-2-[[4-[2-[1-(triphenylmethyl)-5-tetrazolyl]phenyl]phenyl]methyl]-1-isoquinolinone IUPAC Name: 3-butyl-2-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]isoquinolin-1-one Traditional Name: 3-butyl-2-[4-[2-(1-trityltetrazol-5-yl)phenyl]benzyl]isocarbostyril Formula: C46H39N5O MolecularWeight: 677.83476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2C(=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=CC2=CC=CC=C2C(=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/C46H39N5O/c1-2-3-24-40-32-36-17-13-14-26-42(36)45(52)50(40)33-34-28-30-35(31-29-34)41-25-15-16-27-43(41)44-47-48-49-51(44)46(37-18-7-4-8-19-37,38-20-9-5-10-21-38)39-22-11-6-12-23-39/h4-23,25-32H,2-3,24,33H2,1H3