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

Systemtic Name: 2-(4-oxidanylidene-2-phenyl-quinazolin-3-yl)-3-phenyl-propanoic acid; piperazine Openeye Name: 2-(4-oxo-2-phenyl-quinazolin-3-yl)-3-phenyl-propanoic acid; piperazine CAS Name: 2-(4-oxo-2-phenyl-3-quinazolinyl)-3-phenylpropanoic acid; piperazine IUPAC Name: 2-(4-oxo-2-phenylquinazolin-3-yl)-3-phenylpropanoic acid; piperazine Traditional Name: 2-(4-keto-2-phenyl-quinazolin-3-yl)-3-phenyl-propionic acid; piperazine Formula: C50H46N6O6 MolecularWeight: 826.93684

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN1.C1=CC=C(C=C1)CC(C(=O)O)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4.C1=CC=C(C=C1)CC(C(=O)O)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4

Isomeric SMILES

C1CNCCN1.C1=CC=C(C=C1)CC(C(=O)O)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4.C1=CC=C(C=C1)CC(C(=O)O)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4

InChI

InChI=1S/2C23H18N2O3.C4H10N2/c2*26-22-18-13-7-8-14-19(18)24-21(17-11-5-2-6-12-17)25(22)20(23(27)28)15-16-9-3-1-4-10-16;1-2-6-4-3-5-1/h2*1-14,20H,15H2,(H,27,28);5-6H,1-4H2