2-[3-(cyclopentylmethoxy)-4-methoxy-phenyl]-6-(1,2,4-triazol-1-yl)-1H-benzimidazole

Systemtic Name: 2-[3-(cyclopentylmethoxy)-4-methoxy-phenyl]-6-(1,2,4-triazol-1-yl)-1H-benzimidazole Openeye Name: 2-[3-(cyclopentylmethoxy)-4-methoxy-phenyl]-6-(1,2,4-triazol-1-yl)-1H-benzimidazole CAS Name: 2-[3-(cyclopentylmethoxy)-4-methoxyphenyl]-6-(1,2,4-triazol-1-yl)-1H-benzimidazole IUPAC Name: 2-[3-(cyclopentylmethoxy)-4-methoxyphenyl]-6-(1,2,4-triazol-1-yl)-1H-benzimidazole Traditional Name: 2-[3-(cyclopentylmethoxy)-4-methoxy-phenyl]-6-(1,2,4-triazol-1-yl)-1H-benzimidazole Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(N2)C=C(C=C3)N4C=NC=N4)OCC5CCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(N2)C=C(C=C3)N4C=NC=N4)OCC5CCCC5

InChI

InChI=1S/C22H23N5O2/c1-28-20-9-6-16(10-21(20)29-12-15-4-2-3-5-15)22-25-18-8-7-17(11-19(18)26-22)27-14-23-13-24-27/h6-11,13-15H,2-5,12H2,1H3,(H,25,26)