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

Systemtic Name: 3-(4-oxidanylidene-2-phenyl-quinazolin-3-yl)propanoic acid; piperazine Openeye Name: 3-(4-oxo-2-phenyl-quinazolin-3-yl)propanoic acid; piperazine CAS Name: 3-(4-oxo-2-phenyl-3-quinazolinyl)propanoic acid; piperazine IUPAC Name: 3-(4-oxo-2-phenylquinazolin-3-yl)propanoic acid; piperazine Traditional Name: 3-(4-keto-2-phenyl-quinazolin-3-yl)propionic acid; piperazine Formula: C38H38N6O6 MolecularWeight: 674.74492

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN1.C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2CCC(=O)O.C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2CCC(=O)O

Isomeric SMILES

C1CNCCN1.C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2CCC(=O)O.C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2CCC(=O)O

InChI

InChI=1S/2C17H14N2O3.C4H10N2/c2*20-15(21)10-11-19-16(12-6-2-1-3-7-12)18-14-9-5-4-8-13(14)17(19)22;1-2-6-4-3-5-1/h2*1-9H,10-11H2,(H,20,21);5-6H,1-4H2