4-(4-oxidanylidene-2-phenyl-quinazolin-3-yl)benzoic acid; piperazine

Systemtic Name: 4-(4-oxidanylidene-2-phenyl-quinazolin-3-yl)benzoic acid; piperazine Openeye Name: 4-(4-oxo-2-phenyl-quinazolin-3-yl)benzoic acid; piperazine CAS Name: 4-(4-oxo-2-phenyl-3-quinazolinyl)benzoic acid; piperazine IUPAC Name: 4-(4-oxo-2-phenylquinazolin-3-yl)benzoic acid; piperazine Traditional Name: 4-(4-keto-2-phenyl-quinazolin-3-yl)benzoic acid; piperazine Formula: C46H38N6O6 MolecularWeight: 770.83052

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN1.C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)O.C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CNCCN1.C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)O.C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/2C21H14N2O3.C4H10N2/c2*24-20-17-8-4-5-9-18(17)22-19(14-6-2-1-3-7-14)23(20)16-12-10-15(11-13-16)21(25)26;1-2-6-4-3-5-1/h2*1-13H,(H,25,26);5-6H,1-4H2