3-phenyl-8-(4-phenylpiperazin-1-yl)carbonyl-[1,2,3]triazolo[1,5-a]quinazolin-5-olate

Systemtic Name: 3-phenyl-8-(4-phenylpiperazin-1-yl)carbonyl-[1,2,3]triazolo[1,5-a]quinazolin-5-olate Openeye Name: 3-phenyl-8-(4-phenylpiperazine-1-carbonyl)triazolo[1,5-a]quinazolin-5-olate CAS Name: 8-[oxo-(4-phenyl-1-piperazinyl)methyl]-3-phenyl-5-triazolo[1,5-a]quinazolinolate IUPAC Name: 3-phenyl-8-(4-phenylpiperazine-1-carbonyl)triazolo[1,5-a]quinazolin-5-olate Traditional Name: 3-phenyl-8-(4-phenylpiperazine-1-carbonyl)triazolo[1,5-a]quinazolin-5-olate Formula: C26H21N6O2- MolecularWeight: 449.48394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=NC5=C(N=NN45)C6=CC=CC=C6)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=NC5=C(N=NN45)C6=CC=CC=C6)[O-]

InChI

InChI=1S/C26H22N6O2/c33-25-21-12-11-19(26(34)31-15-13-30(14-16-31)20-9-5-2-6-10-20)17-22(21)32-24(27-25)23(28-29-32)18-7-3-1-4-8-18/h1-12,17H,13-16H2,(H,27,33)/p-1