(E)-4-[4-[6-bromanyl-4-(2-chlorophenyl)quinazolin-2-yl]piperazin-1-yl]-4-oxidanylidene-but-2-enoate

Systemtic Name: (E)-4-[4-[6-bromanyl-4-(2-chlorophenyl)quinazolin-2-yl]piperazin-1-yl]-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-[4-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]piperazin-1-yl]-4-oxo-but-2-enoate CAS Name: (E)-4-[4-[6-bromo-4-(2-chlorophenyl)-2-quinazolinyl]-1-piperazinyl]-4-oxo-2-butenoate IUPAC Name: (E)-4-[4-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]piperazin-1-yl]-4-oxobut-2-enoate Traditional Name: (E)-4-[4-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]piperazino]-4-keto-but-2-enoate Formula: C22H17BrClN4O3- MolecularWeight: 500.75238

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(C=C(C=C3)Br)C(=N2)C4=CC=CC=C4Cl)C(=O)C=CC(=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC3=C(C=C(C=C3)Br)C(=N2)C4=CC=CC=C4Cl)C(=O)/C=C/C(=O)[O-]

InChI

InChI=1S/C22H18BrClN4O3/c23-14-5-6-18-16(13-14)21(15-3-1-2-4-17(15)24)26-22(25-18)28-11-9-27(10-12-28)19(29)7-8-20(30)31/h1-8,13H,9-12H2,(H,30,31)/p-1/b8-7+