N-[(2R)-1-imidazol-1-yl-3,3-dimethyl-butan-2-yl]-1-[(E)-3-phenylprop-2-enyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[(2R)-1-imidazol-1-yl-3,3-dimethyl-butan-2-yl]-1-[(E)-3-phenylprop-2-enyl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(E)-cinnamyl]-N-[(1R)-1-(imidazol-1-ylmethyl)-2,2-dimethyl-propyl]triazole-4-carboxamide CAS Name: N-[(2R)-1-(1-imidazolyl)-3,3-dimethylbutan-2-yl]-1-[(E)-3-phenylprop-2-enyl]-4-triazolecarboxamide IUPAC Name: N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide Traditional Name: 1-[(E)-cinnamyl]-N-[(1R)-1-(imidazol-1-ylmethyl)-2,2-dimethyl-propyl]triazole-4-carboxamide Formula: C21H26N6O MolecularWeight: 378.47074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CN1C=CN=C1)NC(=O)C2=CN(N=N2)CC=CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)[C@H](CN1C=CN=C1)NC(=O)C2=CN(N=N2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H26N6O/c1-21(2,3)19(15-26-13-11-22-16-26)23-20(28)18-14-27(25-24-18)12-7-10-17-8-5-4-6-9-17/h4-11,13-14,16,19H,12,15H2,1-3H3,(H,23,28)/b10-7+/t19-/m0/s1