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

Systemtic Name: 2-[2-(cyclopropylmethoxy)-4-methoxy-phenyl]-6-(1,2,4-triazol-1-yl)-1H-benzimidazole Openeye Name: 2-[2-(cyclopropylmethoxy)-4-methoxy-phenyl]-6-(1,2,4-triazol-1-yl)-1H-benzimidazole CAS Name: 2-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-6-(1,2,4-triazol-1-yl)-1H-benzimidazole IUPAC Name: 2-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-6-(1,2,4-triazol-1-yl)-1H-benzimidazole Traditional Name: 2-[2-(cyclopropylmethoxy)-4-methoxy-phenyl]-6-(1,2,4-triazol-1-yl)-1H-benzimidazole Formula: C20H19N5O2 MolecularWeight: 361.39716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NC3=C(N2)C=C(C=C3)N4C=NC=N4)OCC5CC5

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NC3=C(N2)C=C(C=C3)N4C=NC=N4)OCC5CC5

InChI

InChI=1S/C20H19N5O2/c1-26-15-5-6-16(19(9-15)27-10-13-2-3-13)20-23-17-7-4-14(8-18(17)24-20)25-12-21-11-22-25/h4-9,11-13H,2-3,10H2,1H3,(H,23,24)