3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine dichloride

Systemtic Name: 3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine dichloride Openeye Name: 3-[4-(1-naphthylmethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine dichloride CAS Name: 3-[4-(1-naphthalenylmethyl)-1-piperazinyl]-1H-1,2,4-triazol-5-amine dichloride IUPAC Name: 3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine dichloride Traditional Name: [3-[4-(1-naphthylmethyl)piperazino]-1H-1,2,4-triazol-5-yl]amine dichloride Formula: C17H20Cl2N6-2 MolecularWeight: 379.2869

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)C4=NNC(=N4)N.[Cl-].[Cl-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)C4=NNC(=N4)N.[Cl-].[Cl-]

InChI

InChI=1S/C17H20N6.2ClH/c18-16-19-17(21-20-16)23-10-8-22(9-11-23)12-14-6-3-5-13-4-1-2-7-15(13)14;;/h1-7H,8-12H2,(H3,18,19,20,21);2*1H/p-2