(1R,2S)-2-[4-(6-bromanyl-4-phenyl-quinazolin-2-yl)piperazin-1-yl]carbonylcyclohexane-1-carboxylic acid

Systemtic Name: (1R,2S)-2-[4-(6-bromanyl-4-phenyl-quinazolin-2-yl)piperazin-1-yl]carbonylcyclohexane-1-carboxylic acid Openeye Name: (1R,2S)-2-[4-(6-bromo-4-phenyl-quinazolin-2-yl)piperazine-1-carbonyl]cyclohexanecarboxylic acid CAS Name: (1R,2S)-2-[[4-(6-bromo-4-phenyl-2-quinazolinyl)-1-piperazinyl]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2S)-2-[4-(6-bromo-4-phenylquinazolin-2-yl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid Traditional Name: (1R,2S)-2-[4-(6-bromo-4-phenyl-quinazolin-2-yl)piperazine-1-carbonyl]cyclohexanecarboxylic acid Formula: C26H27BrN4O3 MolecularWeight: 523.42158

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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=C5)C(=O)O

Isomeric SMILES

C1CC[C@H]([C@H](C1)C(=O)N2CCN(CC2)C3=NC4=C(C=C(C=C4)Br)C(=N3)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C26H27BrN4O3/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/h1-3,6-7,10-11,16,19-20H,4-5,8-9,12-15H2,(H,33,34)/t19-,20+/m0/s1