4-[4-[4-(3-methyl-5-oxidanylidene-1H-1,2,4-triazol-4-yl)phenyl]-1,4-diazepan-1-yl]-N-oxidanyl-benzamide

Systemtic Name: 4-[4-[4-(3-methyl-5-oxidanylidene-1H-1,2,4-triazol-4-yl)phenyl]-1,4-diazepan-1-yl]-N-oxidanyl-benzamide Openeye Name: 4-[4-[4-(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)phenyl]-1,4-diazepan-1-yl]benzenecarbohydroxamic acid CAS Name: N-hydroxy-4-[4-[4-(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)phenyl]-1,4-diazepan-1-yl]benzamide IUPAC Name: N-hydroxy-4-[4-[4-(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)phenyl]-1,4-diazepan-1-yl]benzamide Traditional Name: 4-[4-[4-(5-keto-3-methyl-1H-1,2,4-triazol-4-yl)phenyl]-1,4-diazepan-1-yl]benzenecarbohydroxamic acid Formula: C21H24N6O3 MolecularWeight: 408.45366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=O)N1C2=CC=C(C=C2)N3CCCN(CC3)C4=CC=C(C=C4)C(=O)NO

Isomeric SMILES

CC1=NNC(=O)N1C2=CC=C(C=C2)N3CCCN(CC3)C4=CC=C(C=C4)C(=O)NO

InChI

InChI=1S/C21H24N6O3/c1-15-22-23-21(29)27(15)19-9-7-18(8-10-19)26-12-2-11-25(13-14-26)17-5-3-16(4-6-17)20(28)24-30/h3-10,30H,2,11-14H2,1H3,(H,23,29)(H,24,28)