5-[4-(6-bromanyl-4-phenyl-quinazolin-2-yl)piperazin-1-yl]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[4-(6-bromanyl-4-phenyl-quinazolin-2-yl)piperazin-1-yl]-5-oxidanylidene-pentanoate Openeye Name: 5-[4-(6-bromo-4-phenyl-quinazolin-2-yl)piperazin-1-yl]-5-oxo-pentanoate CAS Name: 5-[4-(6-bromo-4-phenyl-2-quinazolinyl)-1-piperazinyl]-5-oxopentanoate IUPAC Name: 5-[4-(6-bromo-4-phenylquinazolin-2-yl)piperazin-1-yl]-5-oxopentanoate Traditional Name: 5-[4-(6-bromo-4-phenyl-quinazolin-2-yl)piperazino]-5-keto-valerate Formula: C23H22BrN4O3- MolecularWeight: 482.34978

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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)CCCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H23BrN4O3/c24-17-9-10-19-18(15-17)22(16-5-2-1-3-6-16)26-23(25-19)28-13-11-27(12-14-28)20(29)7-4-8-21(30)31/h1-3,5-6,9-10,15H,4,7-8,11-14H2,(H,30,31)/p-1