N-(4-tert-butylphenyl)-2-(3-oxidanylidene-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)ethanamide

Systemtic Name: N-(4-tert-butylphenyl)-2-(3-oxidanylidene-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)ethanamide Openeye Name: N-(4-tert-butylphenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide CAS Name: N-(4-tert-butylphenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide IUPAC Name: N-(4-tert-butylphenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide Traditional Name: N-(4-tert-butylphenyl)-2-(3-keto-6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-2-yl)acetamide Formula: C19H26N4O2 MolecularWeight: 342.43534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)CN2C(=O)N3CCCCCC3=N2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)CN2C(=O)N3CCCCCC3=N2

InChI

InChI=1S/C19H26N4O2/c1-19(2,3)14-8-10-15(11-9-14)20-17(24)13-23-18(25)22-12-6-4-5-7-16(22)21-23/h8-11H,4-7,12-13H2,1-3H3,(H,20,24)