2-(4-quinazolin-4-ylpiperazin-1-yl)carbonylquinazolin-4-olate

Systemtic Name: 2-(4-quinazolin-4-ylpiperazin-1-yl)carbonylquinazolin-4-olate Openeye Name: 2-(4-quinazolin-4-ylpiperazine-1-carbonyl)quinazolin-4-olate CAS Name: 2-[oxo-[4-(4-quinazolinyl)-1-piperazinyl]methyl]-4-quinazolinolate IUPAC Name: 2-(4-quinazolin-4-ylpiperazine-1-carbonyl)quinazolin-4-olate Traditional Name: 2-(4-quinazolin-4-ylpiperazine-1-carbonyl)quinazolin-4-olate Formula: C21H17N6O2- MolecularWeight: 385.39868

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=NC3=CC=CC=C32)C(=O)C4=NC5=CC=CC=C5C(=N4)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC=NC3=CC=CC=C32)C(=O)C4=NC5=CC=CC=C5C(=N4)[O-]

InChI

InChI=1S/C21H18N6O2/c28-20-15-6-2-4-8-17(15)24-18(25-20)21(29)27-11-9-26(10-12-27)19-14-5-1-3-7-16(14)22-13-23-19/h1-8,13H,9-12H2,(H,24,25,28)/p-1