4,6-dimethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide

Systemtic Name: 4,6-dimethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide Openeye Name: 4,6-dimethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide CAS Name: 4,6-dimethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide IUPAC Name: 4,6-dimethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide Traditional Name: 4,6-dimethyl-N-[2-(1,2,4-triazol-1-ylmethyl)benzyl]-1H-indole-2-carboxamide Formula: C21H21N5O MolecularWeight: 359.42434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(NC2=C1)C(=O)NCC3=CC=CC=C3CN4C=NC=N4)C

Isomeric SMILES

CC1=CC(=C2C=C(NC2=C1)C(=O)NCC3=CC=CC=C3CN4C=NC=N4)C

InChI

InChI=1S/C21H21N5O/c1-14-7-15(2)18-9-20(25-19(18)8-14)21(27)23-10-16-5-3-4-6-17(16)11-26-13-22-12-24-26/h3-9,12-13,25H,10-11H2,1-2H3,(H,23,27)