[4-(benzotriazol-1-ylmethyl)phenyl]-(4-thiophen-2-ylcarbonylpiperazin-1-yl)methanone

Systemtic Name: [4-(benzotriazol-1-ylmethyl)phenyl]-(4-thiophen-2-ylcarbonylpiperazin-1-yl)methanone Openeye Name: [4-(benzotriazol-1-ylmethyl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone CAS Name: [4-(1-benzotriazolylmethyl)phenyl]-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]methanone IUPAC Name: [4-(benzotriazol-1-ylmethyl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone Traditional Name: [4-(benzotriazol-1-ylmethyl)phenyl]-[4-(2-thenoyl)piperazino]methanone Formula: C23H21N5O2S MolecularWeight: 431.51014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3)C(=O)C5=CC=CS5

InChI

InChI=1S/C23H21N5O2S/c29-22(26-11-13-27(14-12-26)23(30)21-6-3-15-31-21)18-9-7-17(8-10-18)16-28-20-5-2-1-4-19(20)24-25-28/h1-10,15H,11-14,16H2