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

Systemtic Name: 2-methyl-4-(4-methylphenyl)-3-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]isoquinolin-1-one Openeye Name: 2-methyl-4-(p-tolyl)-3-(2-trityltetrazol-5-yl)isoquinolin-1-one CAS Name: 2-methyl-4-(4-methylphenyl)-3-[2-(triphenylmethyl)-5-tetrazolyl]-1-isoquinolinone IUPAC Name: 2-methyl-4-(4-methylphenyl)-3-(2-trityltetrazol-5-yl)isoquinolin-1-one Traditional Name: 2-methyl-4-(p-tolyl)-3-(2-trityltetrazol-5-yl)isocarbostyril Formula: C37H29N5O MolecularWeight: 559.65906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=CC=CC=C32)C)C4=NN(N=N4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=CC=CC=C32)C)C4=NN(N=N4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C37H29N5O/c1-26-22-24-27(25-23-26)33-31-20-12-13-21-32(31)36(43)41(2)34(33)35-38-40-42(39-35)37(28-14-6-3-7-15-28,29-16-8-4-9-17-29)30-18-10-5-11-19-30/h3-25H,1-2H3