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

Systemtic Name: 1-(3-bromophenyl)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-(3-bromophenyl)-N-[3-(2-oxoazepan-1-yl)propyl]triazole-4-carboxamide CAS Name: 1-(3-bromophenyl)-N-[3-(2-oxo-1-azepanyl)propyl]-4-triazolecarboxamide IUPAC Name: 1-(3-bromophenyl)-N-[3-(2-oxoazepan-1-yl)propyl]triazole-4-carboxamide Traditional Name: 1-(3-bromophenyl)-N-[3-(2-ketoazepan-1-yl)propyl]triazole-4-carboxamide Formula: C18H22BrN5O2 MolecularWeight: 420.30358

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)C2=CN(N=N2)C3=CC(=CC=C3)Br

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)C2=CN(N=N2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C18H22BrN5O2/c19-14-6-4-7-15(12-14)24-13-16(21-22-24)18(26)20-9-5-11-23-10-3-1-2-8-17(23)25/h4,6-7,12-13H,1-3,5,8-11H2,(H,20,26)