6-[4-[6-bromanyl-4-(2-chlorophenyl)quinazolin-2-yl]piperazin-4-ium-1-yl]carbonylcyclohex-3-ene-1-carboxylate

Systemtic Name: 6-[4-[6-bromanyl-4-(2-chlorophenyl)quinazolin-2-yl]piperazin-4-ium-1-yl]carbonylcyclohex-3-ene-1-carboxylate Openeye Name: 6-[4-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]piperazin-4-ium-1-carbonyl]cyclohex-3-ene-1-carboxylate CAS Name: 6-[[4-[6-bromo-4-(2-chlorophenyl)-2-quinazolinyl]-1-piperazin-4-iumyl]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: 6-[4-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]piperazin-4-ium-1-carbonyl]cyclohex-3-ene-1-carboxylate Traditional Name: 6-[4-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]piperazin-4-ium-1-carbonyl]cyclohex-3-ene-1-carboxylate Formula: C26H24BrClN4O3 MolecularWeight: 555.85076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2=NC3=C(C=C(C=C3)Br)C(=N2)C4=CC=CC=C4Cl)C(=O)C5CC=CCC5C(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1C2=NC3=C(C=C(C=C3)Br)C(=N2)C4=CC=CC=C4Cl)C(=O)C5CC=CCC5C(=O)[O-]

InChI

InChI=1S/C26H24BrClN4O3/c27-16-9-10-22-20(15-16)23(19-7-3-4-8-21(19)28)30-26(29-22)32-13-11-31(12-14-32)24(33)17-5-1-2-6-18(17)25(34)35/h1-4,7-10,15,17-18H,5-6,11-14H2,(H,34,35)