2-(2,4-dimethylphenyl)-5-methyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 2-(2,4-dimethylphenyl)-5-methyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-1,2,3-triazole-4-carboxamide Openeye Name: 2-(2,4-dimethylphenyl)-5-methyl-N-[3-(2-oxoazepan-1-yl)propyl]triazole-4-carboxamide CAS Name: 2-(2,4-dimethylphenyl)-5-methyl-N-[3-(2-oxo-1-azepanyl)propyl]-4-triazolecarboxamide IUPAC Name: 2-(2,4-dimethylphenyl)-5-methyl-N-[3-(2-oxoazepan-1-yl)propyl]triazole-4-carboxamide Traditional Name: 2-(2,4-dimethylphenyl)-N-[3-(2-ketoazepan-1-yl)propyl]-5-methyl-triazole-4-carboxamide Formula: C21H29N5O2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)NCCCN3CCCCCC3=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)NCCCN3CCCCCC3=O)C)C

InChI

InChI=1S/C21H29N5O2/c1-15-9-10-18(16(2)14-15)26-23-17(3)20(24-26)21(28)22-11-7-13-25-12-6-4-5-8-19(25)27/h9-10,14H,4-8,11-13H2,1-3H3,(H,22,28)