1-(3-bromophenyl)-N-[4-(3-oxidanylidenepiperazin-1-yl)phenyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-(3-bromophenyl)-N-[4-(3-oxidanylidenepiperazin-1-yl)phenyl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-(3-bromophenyl)-N-[4-(3-oxopiperazin-1-yl)phenyl]triazole-4-carboxamide CAS Name: 1-(3-bromophenyl)-N-[4-(3-oxo-1-piperazinyl)phenyl]-4-triazolecarboxamide IUPAC Name: 1-(3-bromophenyl)-N-[4-(3-oxopiperazin-1-yl)phenyl]triazole-4-carboxamide Traditional Name: 1-(3-bromophenyl)-N-[4-(3-ketopiperazino)phenyl]triazole-4-carboxamide Formula: C19H17BrN6O2 MolecularWeight: 441.28128

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=CC=C(C=C2)NC(=O)C3=CN(N=N3)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CN(CC(=O)N1)C2=CC=C(C=C2)NC(=O)C3=CN(N=N3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C19H17BrN6O2/c20-13-2-1-3-16(10-13)26-11-17(23-24-26)19(28)22-14-4-6-15(7-5-14)25-9-8-21-18(27)12-25/h1-7,10-11H,8-9,12H2,(H,21,27)(H,22,28)