6-[4-(6-bromanyl-4-phenyl-quinazolin-2-yl)piperazin-1-yl]carbonylcyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[4-(6-bromanyl-4-phenyl-quinazolin-2-yl)piperazin-1-yl]carbonylcyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[4-(6-bromo-4-phenyl-quinazolin-2-yl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[4-(6-bromo-4-phenyl-2-quinazolinyl)-1-piperazinyl]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[4-(6-bromo-4-phenylquinazolin-2-yl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[4-(6-bromo-4-phenyl-quinazolin-2-yl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid Formula: C26H25BrN4O3 MolecularWeight: 521.4057

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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)C5CC=CCC5C(=O)O

Isomeric SMILES

C1CN(CCN1C2=NC3=C(C=C(C=C3)Br)C(=N2)C4=CC=CC=C4)C(=O)C5CC=CCC5C(=O)O

InChI

InChI=1S/C26H25BrN4O3/c27-18-10-11-22-21(16-18)23(17-6-2-1-3-7-17)29-26(28-22)31-14-12-30(13-15-31)24(32)19-8-4-5-9-20(19)25(33)34/h1-7,10-11,16,19-20H,8-9,12-15H2,(H,33,34)