3-[[4-(azepan-1-ylcarbonyl)cyclohexyl]methyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[4-(azepan-1-ylcarbonyl)cyclohexyl]methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-(azepane-1-carbonyl)cyclohexyl]methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[4-[1-azepanyl(oxo)methyl]cyclohexyl]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-(azepane-1-carbonyl)cyclohexyl]methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[4-(azepane-1-carbonyl)cyclohexyl]methyl]-1,2,3-benzotriazin-4-one Formula: C21H28N4O2 MolecularWeight: 368.47262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCC(CC2)CN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCC(CC2)CN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H28N4O2/c26-20(24-13-5-1-2-6-14-24)17-11-9-16(10-12-17)15-25-21(27)18-7-3-4-8-19(18)22-23-25/h3-4,7-8,16-17H,1-2,5-6,9-15H2