N-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)methyl]-1-phenethyl-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)methyl]-1-phenethyl-1,2,3-triazole-4-carboxamide Openeye Name: N-[(1,3-dimethyl-2-oxo-benzimidazol-5-yl)methyl]-1-phenethyl-triazole-4-carboxamide CAS Name: N-[(1,3-dimethyl-2-oxo-5-benzimidazolyl)methyl]-1-phenethyl-4-triazolecarboxamide IUPAC Name: N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-1-phenethyltriazole-4-carboxamide Traditional Name: N-[(2-keto-1,3-dimethyl-benzimidazol-5-yl)methyl]-1-phenethyl-triazole-4-carboxamide Formula: C21H22N6O2 MolecularWeight: 390.43838

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)CNC(=O)C3=CN(N=N3)CCC4=CC=CC=C4)N(C1=O)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)CNC(=O)C3=CN(N=N3)CCC4=CC=CC=C4)N(C1=O)C

InChI

InChI=1S/C21H22N6O2/c1-25-18-9-8-16(12-19(18)26(2)21(25)29)13-22-20(28)17-14-27(24-23-17)11-10-15-6-4-3-5-7-15/h3-9,12,14H,10-11,13H2,1-2H3,(H,22,28)