5-[2-[[1-(3-phenylphenyl)piperidin-4-yl]amino]ethyl]-1H-1,2,4-triazol-3-olate

Systemtic Name: 5-[2-[[1-(3-phenylphenyl)piperidin-4-yl]amino]ethyl]-1H-1,2,4-triazol-3-olate Openeye Name: 5-[2-[[1-(3-phenylphenyl)-4-piperidyl]amino]ethyl]-1H-1,2,4-triazol-3-olate CAS Name: 5-[2-[[1-(3-phenylphenyl)-4-piperidinyl]amino]ethyl]-1H-1,2,4-triazol-3-olate IUPAC Name: 5-[2-[[1-(3-phenylphenyl)piperidin-4-yl]amino]ethyl]-1H-1,2,4-triazol-3-olate Traditional Name: 5-[2-[[1-(3-phenylphenyl)-4-piperidyl]amino]ethyl]-1H-1,2,4-triazol-3-olate Formula: C21H24N5O- MolecularWeight: 362.44816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NCCC2=NC(=NN2)[O-])C3=CC=CC(=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1NCCC2=NC(=NN2)[O-])C3=CC=CC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H25N5O/c27-21-23-20(24-25-21)9-12-22-18-10-13-26(14-11-18)19-8-4-7-17(15-19)16-5-2-1-3-6-16/h1-8,15,18,22H,9-14H2,(H2,23,24,25,27)/p-1