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

Systemtic Name: 3-phenyl-8-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-[1,2,3]triazolo[1,5-a]quinazolin-5-olate Openeye Name: 3-phenyl-8-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)triazolo[1,5-a]quinazolin-5-olate CAS Name: 8-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-3-phenyl-5-triazolo[1,5-a]quinazolinolate IUPAC Name: 3-phenyl-8-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)triazolo[1,5-a]quinazolin-5-olate Traditional Name: 3-phenyl-8-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)triazolo[1,5-a]quinazolin-5-olate Formula: C25H21N7O2 MolecularWeight: 451.47994

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC4=C(C=C3)C(=NC5=C(N=NN45)C6=CC=CC=C6)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC4=C(C=C3)C(=NC5=C(N=NN45)C6=CC=CC=C6)[O-]

InChI

InChI=1S/C25H21N7O2/c33-24-19-10-9-18(25(34)31-14-12-30(13-15-31)21-8-4-5-11-26-21)16-20(19)32-23(27-24)22(28-29-32)17-6-2-1-3-7-17/h1-11,16H,12-15H2,(H,27,33)