2-[4-[6-bromanyl-4-(2-chlorophenyl)quinazolin-2-yl]piperazin-1-yl]carbonylcyclohexane-1-carboxylic acid

Systemtic Name: 2-[4-[6-bromanyl-4-(2-chlorophenyl)quinazolin-2-yl]piperazin-1-yl]carbonylcyclohexane-1-carboxylic acid Openeye Name: 2-[4-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]piperazine-1-carbonyl]cyclohexanecarboxylic acid CAS Name: 2-[[4-[6-bromo-4-(2-chlorophenyl)-2-quinazolinyl]-1-piperazinyl]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[4-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]piperazine-1-carbonyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[4-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]piperazine-1-carbonyl]cyclohexanecarboxylic acid Formula: C26H26BrClN4O3 MolecularWeight: 557.86664

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)N2CCN(CC2)C3=NC4=C(C=C(C=C4)Br)C(=N3)C5=CC=CC=C5Cl)C(=O)O

Isomeric SMILES

C1CCC(C(C1)C(=O)N2CCN(CC2)C3=NC4=C(C=C(C=C4)Br)C(=N3)C5=CC=CC=C5Cl)C(=O)O

InChI

InChI=1S/C26H26BrClN4O3/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/h3-4,7-10,15,17-18H,1-2,5-6,11-14H2,(H,34,35)