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

Systemtic Name: 5-methyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-2-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: 5-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-2-phenyl-triazole-4-carboxamide CAS Name: 5-methyl-N-[3-(2-oxo-1-azepanyl)propyl]-2-phenyl-4-triazolecarboxamide IUPAC Name: 5-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-2-phenyltriazole-4-carboxamide Traditional Name: N-[3-(2-ketoazepan-1-yl)propyl]-5-methyl-2-phenyl-triazole-4-carboxamide Formula: C19H25N5O2 MolecularWeight: 355.4341

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)NCCCN2CCCCCC2=O)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(N=C1C(=O)NCCCN2CCCCCC2=O)C3=CC=CC=C3

InChI

InChI=1S/C19H25N5O2/c1-15-18(22-24(21-15)16-9-4-2-5-10-16)19(26)20-12-8-14-23-13-7-3-6-11-17(23)25/h2,4-5,9-10H,3,6-8,11-14H2,1H3,(H,20,26)