4-oxidanylidene-4-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]but-2-enoic acid

Systemtic Name: 4-oxidanylidene-4-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]but-2-enoic acid Openeye Name: 4-oxo-4-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]but-2-enoic acid CAS Name: 4-oxo-4-[4-(4-phenyl-2-quinazolinyl)-1-piperazinyl]-2-butenoic acid IUPAC Name: 4-oxo-4-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]but-2-enoic acid Traditional Name: 4-keto-4-[4-(4-phenylquinazolin-2-yl)piperazino]but-2-enoic acid Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=CC=CC=C3C(=N2)C4=CC=CC=C4)C(=O)C=CC(=O)O

Isomeric SMILES

C1CN(CCN1C2=NC3=CC=CC=C3C(=N2)C4=CC=CC=C4)C(=O)C=CC(=O)O

InChI

InChI=1S/C22H20N4O3/c27-19(10-11-20(28)29)25-12-14-26(15-13-25)22-23-18-9-5-4-8-17(18)21(24-22)16-6-2-1-3-7-16/h1-11H,12-15H2,(H,28,29)