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

Systemtic Name: 5-[4-[4-(phenylmethyl)piperidin-1-yl]but-1-ynyl]-2H-benzotriazole Openeye Name: 5-[4-(4-benzyl-1-piperidyl)but-1-ynyl]-2H-benzotriazole CAS Name: 5-[4-[4-(phenylmethyl)-1-piperidinyl]but-1-ynyl]-2H-benzotriazole IUPAC Name: 5-[4-(4-benzylpiperidin-1-yl)but-1-ynyl]-2H-benzotriazole Traditional Name: 5-[4-(4-benzylpiperidino)but-1-ynyl]-2H-benzotriazole Formula: C22H24N4 MolecularWeight: 344.45276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4/c1-2-6-18(7-3-1)16-20-11-14-26(15-12-20)13-5-4-8-19-9-10-21-22(17-19)24-25-23-21/h1-3,6-7,9-10,17,20H,5,11-16H2,(H,23,24,25)