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

Systemtic Name: 2-(2,4-dimethylphenyl)-5-methyl-N-(2-oxidanylideneazepan-3-yl)-1,2,3-triazole-4-carboxamide Openeye Name: 2-(2,4-dimethylphenyl)-5-methyl-N-(2-oxoazepan-3-yl)triazole-4-carboxamide CAS Name: 2-(2,4-dimethylphenyl)-5-methyl-N-(2-oxo-3-azepanyl)-4-triazolecarboxamide IUPAC Name: 2-(2,4-dimethylphenyl)-5-methyl-N-(2-oxoazepan-3-yl)triazole-4-carboxamide Traditional Name: 2-(2,4-dimethylphenyl)-N-(2-ketoazepan-3-yl)-5-methyl-triazole-4-carboxamide Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)NC3CCCCNC3=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)NC3CCCCNC3=O)C)C

InChI

InChI=1S/C18H23N5O2/c1-11-7-8-15(12(2)10-11)23-21-13(3)16(22-23)18(25)20-14-6-4-5-9-19-17(14)24/h7-8,10,14H,4-6,9H2,1-3H3,(H,19,24)(H,20,25)