2-ethyl-4-methyl-1-[2-methyl-4-phenyl-3-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]-6-[1-(3-piperidin-1-ylpropyl)imidazol-4-yl]benzimidazole

Systemtic Name: 2-ethyl-4-methyl-1-[2-methyl-4-phenyl-3-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]-6-[1-(3-piperidin-1-ylpropyl)imidazol-4-yl]benzimidazole Openeye Name: 2-ethyl-4-methyl-1-[2-methyl-4-phenyl-3-(2-trityltetrazol-5-yl)phenyl]-6-[1-[3-(1-piperidyl)propyl]imidazol-4-yl]benzimidazole CAS Name: 2-ethyl-4-methyl-1-[2-methyl-4-phenyl-3-[2-(triphenylmethyl)-5-tetrazolyl]phenyl]-6-[1-[3-(1-piperidinyl)propyl]-4-imidazolyl]benzimidazole IUPAC Name: 2-ethyl-4-methyl-1-[2-methyl-4-phenyl-3-(2-trityltetrazol-5-yl)phenyl]-6-[1-(3-piperidin-1-ylpropyl)imidazol-4-yl]benzimidazole Traditional Name: 2-ethyl-4-methyl-1-[2-methyl-4-phenyl-3-(2-trityltetrazol-5-yl)phenyl]-6-[1-(3-piperidinopropyl)imidazol-4-yl]benzimidazole Formula: C54H53N9 MolecularWeight: 828.05892

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=C(C=C2N1C3=C(C(=C(C=C3)C4=CC=CC=C4)C5=NN(N=N5)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C)C9=CN(C=N9)CCCN1CCCCC1)C

Isomeric SMILES

CCC1=NC2=C(C=C(C=C2N1C3=C(C(=C(C=C3)C4=CC=CC=C4)C5=NN(N=N5)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C)C9=CN(C=N9)CCCN1CCCCC1)C

InChI

InChI=1S/C54H53N9/c1-4-50-56-52-39(2)35-42(47-37-61(38-55-47)34-20-33-60-31-18-9-19-32-60)36-49(52)62(50)48-30-29-46(41-21-10-5-11-22-41)51(40(48)3)53-57-59-63(58-53)54(43-23-12-6-13-24-43,44-25-14-7-15-26-44)45-27-16-8-17-28-45/h5-8,10-17,21-30,35-38H,4,9,18-20,31-34H2,1-3H3