1-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxidanylidene-ethyl]-N-(3,4-dimethylphenyl)-1,2,4-triazole-3-carboxamide

Systemtic Name: 1-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxidanylidene-ethyl]-N-(3,4-dimethylphenyl)-1,2,4-triazole-3-carboxamide Openeye Name: 1-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxo-ethyl]-N-(3,4-dimethylphenyl)-1,2,4-triazole-3-carboxamide CAS Name: 1-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]-N-(3,4-dimethylphenyl)-1,2,4-triazole-3-carboxamide IUPAC Name: 1-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]-N-(3,4-dimethylphenyl)-1,2,4-triazole-3-carboxamide Traditional Name: 1-[2-(1H-benzimidazol-2-ylmethylamino)-2-keto-ethyl]-N-(3,4-dimethylphenyl)-1,2,4-triazole-3-carboxamide Formula: C21H21N7O2 MolecularWeight: 403.43714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=NN(C=N2)CC(=O)NCC3=NC4=CC=CC=C4N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=NN(C=N2)CC(=O)NCC3=NC4=CC=CC=C4N3)C

InChI

InChI=1S/C21H21N7O2/c1-13-7-8-15(9-14(13)2)24-21(30)20-23-12-28(27-20)11-19(29)22-10-18-25-16-5-3-4-6-17(16)26-18/h3-9,12H,10-11H2,1-2H3,(H,22,29)(H,24,30)(H,25,26)