N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-imidazol-1-yl-3,3-dimethyl-butan-2-amine

Systemtic Name: N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-imidazol-1-yl-3,3-dimethyl-butan-2-amine Openeye Name: N-[[5-(benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-imidazol-1-yl-3,3-dimethyl-butan-2-amine CAS Name: N-[[5-(2-benzofuranyl)-1H-pyrazol-4-yl]methyl]-1-(1-imidazolyl)-3,3-dimethyl-2-butanamine IUPAC Name: N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine Traditional Name: [5-(benzofuran-2-yl)-1H-pyrazol-4-yl]methyl-[1-(imidazol-1-ylmethyl)-2,2-dimethyl-propyl]amine Formula: C21H25N5O MolecularWeight: 363.4561

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CN1C=CN=C1)NCC2=C(NN=C2)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC(C)(C)C(CN1C=CN=C1)NCC2=C(NN=C2)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H25N5O/c1-21(2,3)19(13-26-9-8-22-14-26)23-11-16-12-24-25-20(16)18-10-15-6-4-5-7-17(15)27-18/h4-10,12,14,19,23H,11,13H2,1-3H3,(H,24,25)