4-[4-(6-bromanyl-4-phenyl-quinazolin-2-yl)piperazin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[4-(6-bromanyl-4-phenyl-quinazolin-2-yl)piperazin-1-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[4-(6-bromo-4-phenyl-quinazolin-2-yl)piperazin-1-yl]-4-oxo-butanoate CAS Name: 4-[4-(6-bromo-4-phenyl-2-quinazolinyl)-1-piperazinyl]-4-oxobutanoate IUPAC Name: 4-[4-(6-bromo-4-phenylquinazolin-2-yl)piperazin-1-yl]-4-oxobutanoate Traditional Name: 4-[4-(6-bromo-4-phenyl-quinazolin-2-yl)piperazino]-4-keto-butyrate Formula: C22H20BrN4O3- MolecularWeight: 468.3232

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(C=C(C=C3)Br)C(=N2)C4=CC=CC=C4)C(=O)CCC(=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC3=C(C=C(C=C3)Br)C(=N2)C4=CC=CC=C4)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C22H21BrN4O3/c23-16-6-7-18-17(14-16)21(15-4-2-1-3-5-15)25-22(24-18)27-12-10-26(11-13-27)19(28)8-9-20(29)30/h1-7,14H,8-13H2,(H,29,30)/p-1