3-[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]butyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]butyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[4-[4-(2-thienylmethyl)piperazin-1-yl]butyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[4-[4-(thiophen-2-ylmethyl)-1-piperazinyl]butyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]butyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[4-[4-(2-thenyl)piperazino]butyl]-1,2,3-benzotriazin-4-one Formula: C20H25N5OS MolecularWeight: 383.5104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3N=N2)CC4=CC=CS4

Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3N=N2)CC4=CC=CS4

InChI

InChI=1S/C20H25N5OS/c26-20-18-7-1-2-8-19(18)21-22-25(20)10-4-3-9-23-11-13-24(14-12-23)16-17-6-5-15-27-17/h1-2,5-8,15H,3-4,9-14,16H2