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

Systemtic Name: 3-methyl-2-(4-oxidanylidene-2-phenyl-quinazolin-3-yl)butanoic acid; piperazine Openeye Name: 3-methyl-2-(4-oxo-2-phenyl-quinazolin-3-yl)butanoic acid; piperazine CAS Name: 3-methyl-2-(4-oxo-2-phenyl-3-quinazolinyl)butanoic acid; piperazine IUPAC Name: 3-methyl-2-(4-oxo-2-phenylquinazolin-3-yl)butanoic acid; piperazine Traditional Name: 2-(4-keto-2-phenyl-quinazolin-3-yl)-3-methyl-butyric acid; piperazine Formula: C42H46N6O6 MolecularWeight: 730.85124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N1C(=NC2=CC=CC=C2C1=O)C3=CC=CC=C3.CC(C)C(C(=O)O)N1C(=NC2=CC=CC=C2C1=O)C3=CC=CC=C3.C1CNCCN1

Isomeric SMILES

CC(C)C(C(=O)O)N1C(=NC2=CC=CC=C2C1=O)C3=CC=CC=C3.CC(C)C(C(=O)O)N1C(=NC2=CC=CC=C2C1=O)C3=CC=CC=C3.C1CNCCN1

InChI

InChI=1S/2C19H18N2O3.C4H10N2/c2*1-12(2)16(19(23)24)21-17(13-8-4-3-5-9-13)20-15-11-7-6-10-14(15)18(21)22;1-2-6-4-3-5-1/h2*3-12,16H,1-2H3,(H,23,24);5-6H,1-4H2