5-[3-[4-(phenylmethyl)piperidin-1-yl]prop-1-ynyl]-2H-benzotriazole

Systemtic Name: 5-[3-[4-(phenylmethyl)piperidin-1-yl]prop-1-ynyl]-2H-benzotriazole Openeye Name: 5-[3-(4-benzyl-1-piperidyl)prop-1-ynyl]-2H-benzotriazole CAS Name: 5-[3-[4-(phenylmethyl)-1-piperidinyl]prop-1-ynyl]-2H-benzotriazole IUPAC Name: 5-[3-(4-benzylpiperidin-1-yl)prop-1-ynyl]-2H-benzotriazole Traditional Name: 5-[3-(4-benzylpiperidino)prop-1-ynyl]-2H-benzotriazole Formula: C21H22N4 MolecularWeight: 330.42618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CC#CC3=CC4=NNN=C4C=C3

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CC#CC3=CC4=NNN=C4C=C3

InChI

InChI=1S/C21H22N4/c1-2-5-17(6-3-1)15-19-10-13-25(14-11-19)12-4-7-18-8-9-20-21(16-18)23-24-22-20/h1-3,5-6,8-9,16,19H,10-15H2,(H,22,23,24)