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

Systemtic Name: N-[3-(2-oxidanylideneazepan-1-yl)propyl]-2H-benzotriazole-5-carboxamide Openeye Name: N-[3-(2-oxoazepan-1-yl)propyl]-2H-benzotriazole-5-carboxamide CAS Name: N-[3-(2-oxo-1-azepanyl)propyl]-2H-benzotriazole-5-carboxamide IUPAC Name: N-[3-(2-oxoazepan-1-yl)propyl]-2H-benzotriazole-5-carboxamide Traditional Name: N-[3-(2-ketoazepan-1-yl)propyl]-2H-benzotriazole-5-carboxamide Formula: C16H21N5O2 MolecularWeight: 315.37024

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)C2=CC3=NNN=C3C=C2

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)C2=CC3=NNN=C3C=C2

InChI

InChI=1S/C16H21N5O2/c22-15-5-2-1-3-9-21(15)10-4-8-17-16(23)12-6-7-13-14(11-12)19-20-18-13/h6-7,11H,1-5,8-10H2,(H,17,23)(H,18,19,20)