4-[[3-bromanyl-2-[2-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]-1-benzofuran-5-yl]methoxy]-2-ethyl-5,6,7,8-tetrahydroquinoline

Systemtic Name: 4-[[3-bromanyl-2-[2-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]-1-benzofuran-5-yl]methoxy]-2-ethyl-5,6,7,8-tetrahydroquinoline Openeye Name: 4-[[3-bromo-2-[2-(2-trityltetrazol-5-yl)phenyl]benzofuran-5-yl]methoxy]-2-ethyl-5,6,7,8-tetrahydroquinoline CAS Name: 4-[[3-bromo-2-[2-[2-(triphenylmethyl)-5-tetrazolyl]phenyl]-5-benzofuranyl]methoxy]-2-ethyl-5,6,7,8-tetrahydroquinoline IUPAC Name: 4-[[3-bromo-2-[2-(2-trityltetrazol-5-yl)phenyl]-1-benzofuran-5-yl]methoxy]-2-ethyl-5,6,7,8-tetrahydroquinoline Traditional Name: 4-[[3-bromo-2-[2-(2-trityltetrazol-5-yl)phenyl]benzofuran-5-yl]methoxy]-2-ethyl-5,6,7,8-tetrahydroquinoline Formula: C46H38BrN5O2 MolecularWeight: 772.73022

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(CCCC2)C(=C1)OCC3=CC4=C(C=C3)OC(=C4Br)C5=CC=CC=C5C6=NN(N=N6)C(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9

Isomeric SMILES

CCC1=NC2=C(CCCC2)C(=C1)OCC3=CC4=C(C=C3)OC(=C4Br)C5=CC=CC=C5C6=NN(N=N6)C(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C46H38BrN5O2/c1-2-35-29-42(38-24-14-15-25-40(38)48-35)53-30-31-26-27-41-39(28-31)43(47)44(54-41)36-22-12-13-23-37(36)45-49-51-52(50-45)46(32-16-6-3-7-17-32,33-18-8-4-9-19-33)34-20-10-5-11-21-34/h3-13,16-23,26-29H,2,14-15,24-25,30H2,1H3