N-(3,4-dimethylphenyl)-1-[2-(1H-indol-5-ylmethylamino)-2-oxidanylidene-ethyl]-1,2,4-triazole-3-carboxamide

Systemtic Name: N-(3,4-dimethylphenyl)-1-[2-(1H-indol-5-ylmethylamino)-2-oxidanylidene-ethyl]-1,2,4-triazole-3-carboxamide Openeye Name: N-(3,4-dimethylphenyl)-1-[2-(1H-indol-5-ylmethylamino)-2-oxo-ethyl]-1,2,4-triazole-3-carboxamide CAS Name: N-(3,4-dimethylphenyl)-1-[2-(1H-indol-5-ylmethylamino)-2-oxoethyl]-1,2,4-triazole-3-carboxamide IUPAC Name: N-(3,4-dimethylphenyl)-1-[2-(1H-indol-5-ylmethylamino)-2-oxoethyl]-1,2,4-triazole-3-carboxamide Traditional Name: N-(3,4-dimethylphenyl)-1-[2-(1H-indol-5-ylmethylamino)-2-keto-ethyl]-1,2,4-triazole-3-carboxamide Formula: C22H22N6O2 MolecularWeight: 402.44908

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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=CC4=C(C=C3)NC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=NN(C=N2)CC(=O)NCC3=CC4=C(C=C3)NC=C4)C

InChI

InChI=1S/C22H22N6O2/c1-14-3-5-18(9-15(14)2)26-22(30)21-25-13-28(27-21)12-20(29)24-11-16-4-6-19-17(10-16)7-8-23-19/h3-10,13,23H,11-12H2,1-2H3,(H,24,29)(H,26,30)