N-[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1,2,4-triazol-3-yl]-4-methyl-benzamide

Systemtic Name: N-[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1,2,4-triazol-3-yl]-4-methyl-benzamide Openeye Name: N-[1-[2-(azepan-1-yl)-2-oxo-ethyl]-1,2,4-triazol-3-yl]-4-methyl-benzamide CAS Name: N-[1-[2-(1-azepanyl)-2-oxoethyl]-1,2,4-triazol-3-yl]-4-methylbenzamide IUPAC Name: N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]-4-methylbenzamide Traditional Name: N-[1-[2-(azepan-1-yl)-2-keto-ethyl]-1,2,4-triazol-3-yl]-4-methyl-benzamide Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=NN(C=N2)CC(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=NN(C=N2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C18H23N5O2/c1-14-6-8-15(9-7-14)17(25)20-18-19-13-23(21-18)12-16(24)22-10-4-2-3-5-11-22/h6-9,13H,2-5,10-12H2,1H3,(H,20,21,25)