3-bromanyl-1-(oxan-2-yl)-5-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]indazole

Systemtic Name: 3-bromanyl-1-(oxan-2-yl)-5-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]indazole Openeye Name: 3-bromo-1-tetrahydropyran-2-yl-5-(2-trityltetrazol-5-yl)indazole CAS Name: 3-bromo-1-(2-oxanyl)-5-[2-(triphenylmethyl)-5-tetrazolyl]indazole IUPAC Name: 3-bromo-1-(oxan-2-yl)-5-(2-trityltetrazol-5-yl)indazole Traditional Name: 3-bromo-1-tetrahydropyran-2-yl-5-(2-trityltetrazol-5-yl)indazole Formula: C32H27BrN6O MolecularWeight: 591.50038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)N2C3=C(C=C(C=C3)C4=NN(N=N4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(=N2)Br

Isomeric SMILES

C1CCOC(C1)N2C3=C(C=C(C=C3)C4=NN(N=N4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(=N2)Br

InChI

InChI=1S/C32H27BrN6O/c33-30-27-22-23(19-20-28(27)38(35-30)29-18-10-11-21-40-29)31-34-37-39(36-31)32(24-12-4-1-5-13-24,25-14-6-2-7-15-25)26-16-8-3-9-17-26/h1-9,12-17,19-20,22,29H,10-11,18,21H2