1-ethyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]benzotriazole-5-carboxamide

Systemtic Name: 1-ethyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]benzotriazole-5-carboxamide Openeye Name: 1-ethyl-N-[3-(2-oxoazepan-1-yl)propyl]benzotriazole-5-carboxamide CAS Name: 1-ethyl-N-[3-(2-oxo-1-azepanyl)propyl]-5-benzotriazolecarboxamide IUPAC Name: 1-ethyl-N-[3-(2-oxoazepan-1-yl)propyl]benzotriazole-5-carboxamide Traditional Name: 1-ethyl-N-[3-(2-ketoazepan-1-yl)propyl]benzotriazole-5-carboxamide Formula: C18H25N5O2 MolecularWeight: 343.4234

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)NCCCN3CCCCCC3=O)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)NCCCN3CCCCCC3=O)N=N1

InChI

InChI=1S/C18H25N5O2/c1-2-23-16-9-8-14(13-15(16)20-21-23)18(25)19-10-6-12-22-11-5-3-4-7-17(22)24/h8-9,13H,2-7,10-12H2,1H3,(H,19,25)