2-[1-[2-[4-(6-bromanyl-4-phenyl-quinazolin-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]cyclopentyl]ethanoic acid

Systemtic Name: 2-[1-[2-[4-(6-bromanyl-4-phenyl-quinazolin-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]cyclopentyl]ethanoic acid Openeye Name: 2-[1-[2-[4-(6-bromo-4-phenyl-quinazolin-2-yl)piperazin-1-yl]-2-oxo-ethyl]cyclopentyl]acetic acid CAS Name: 2-[1-[2-[4-(6-bromo-4-phenyl-2-quinazolinyl)-1-piperazinyl]-2-oxoethyl]cyclopentyl]acetic acid IUPAC Name: 2-[1-[2-[4-(6-bromo-4-phenylquinazolin-2-yl)piperazin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid Traditional Name: 2-[1-[2-[4-(6-bromo-4-phenyl-quinazolin-2-yl)piperazino]-2-keto-ethyl]cyclopentyl]acetic acid Formula: C27H29BrN4O3 MolecularWeight: 537.44816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29BrN4O3/c28-20-8-9-22-21(16-20)25(19-6-2-1-3-7-19)30-26(29-22)32-14-12-31(13-15-32)23(33)17-27(18-24(34)35)10-4-5-11-27/h1-3,6-9,16H,4-5,10-15,17-18H2,(H,34,35)