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

Systemtic Name: 4-[4-[4-(1-butan-2-yl-3-methyl-5-oxidanylidene-1,2,4-triazol-4-yl)phenyl]-1,4-diazepan-1-yl]-N-oxidanyl-benzamide Openeye Name: 4-[4-[4-(3-methyl-5-oxo-1-sec-butyl-1,2,4-triazol-4-yl)phenyl]-1,4-diazepan-1-yl]benzenecarbohydroxamic acid CAS Name: 4-[4-[4-(1-butan-2-yl-3-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-1,4-diazepan-1-yl]-N-hydroxybenzamide IUPAC Name: 4-[4-[4-(1-butan-2-yl-3-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-1,4-diazepan-1-yl]-N-hydroxybenzamide Traditional Name: 4-[4-[4-(5-keto-3-methyl-1-sec-butyl-1,2,4-triazol-4-yl)phenyl]-1,4-diazepan-1-yl]benzenecarbohydroxamic acid Formula: C25H32N6O3 MolecularWeight: 464.55998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)N(C(=N1)C)C2=CC=C(C=C2)N3CCCN(CC3)C4=CC=C(C=C4)C(=O)NO

Isomeric SMILES

CCC(C)N1C(=O)N(C(=N1)C)C2=CC=C(C=C2)N3CCCN(CC3)C4=CC=C(C=C4)C(=O)NO

InChI

InChI=1S/C25H32N6O3/c1-4-18(2)31-25(33)30(19(3)26-31)23-12-10-22(11-13-23)29-15-5-14-28(16-17-29)21-8-6-20(7-9-21)24(32)27-34/h6-13,18,34H,4-5,14-17H2,1-3H3,(H,27,32)