9-[3-bromanyl-2-oxidanylidene-5-(4-phenylpiperazin-1-yl)cyclopent-3-en-1-yl]-8-oxidanyl-7,11-dioxaspiro[5.5]undec-8-en-10-one

Systemtic Name: 9-[3-bromanyl-2-oxidanylidene-5-(4-phenylpiperazin-1-yl)cyclopent-3-en-1-yl]-8-oxidanyl-7,11-dioxaspiro[5.5]undec-8-en-10-one Openeye Name: 9-[3-bromo-2-oxo-5-(4-phenylpiperazin-1-yl)cyclopent-3-en-1-yl]-8-hydroxy-7,11-dioxaspiro[5.5]undec-8-en-10-one CAS Name: 9-[3-bromo-2-oxo-5-(4-phenyl-1-piperazinyl)-1-cyclopent-3-enyl]-8-hydroxy-7,11-dioxaspiro[5.5]undec-8-en-10-one IUPAC Name: 9-[3-bromo-2-oxo-5-(4-phenylpiperazin-1-yl)cyclopent-3-en-1-yl]-8-hydroxy-7,11-dioxaspiro[5.5]undec-8-en-10-one Traditional Name: 9-[3-bromo-2-keto-5-(4-phenylpiperazino)cyclopent-3-en-1-yl]-8-hydroxy-7,11-dioxaspiro[5.5]undec-8-en-10-one Formula: C24H27BrN2O5 MolecularWeight: 503.38558

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)OC(=C(C(=O)O2)C3C(C=C(C3=O)Br)N4CCN(CC4)C5=CC=CC=C5)O

Isomeric SMILES

C1CCC2(CC1)OC(=C(C(=O)O2)C3C(C=C(C3=O)Br)N4CCN(CC4)C5=CC=CC=C5)O

InChI

InChI=1S/C24H27BrN2O5/c25-17-15-18(27-13-11-26(12-14-27)16-7-3-1-4-8-16)19(21(17)28)20-22(29)31-24(32-23(20)30)9-5-2-6-10-24/h1,3-4,7-8,15,18-19,29H,2,5-6,9-14H2