3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-[(4-isopropylphenyl)methyl]piperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[4-[(4-propan-2-ylphenyl)methyl]-1-piperazinyl]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[4-(4-isopropylbenzyl)piperazino]methyl]-1,2,3-benzotriazin-4-one Formula: C22H27N5O MolecularWeight: 377.48268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN2CCN(CC2)CN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN2CCN(CC2)CN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H27N5O/c1-17(2)19-9-7-18(8-10-19)15-25-11-13-26(14-12-25)16-27-22(28)20-5-3-4-6-21(20)23-24-27/h3-10,17H,11-16H2,1-2H3