5-(4-tert-butylphenyl)-2-[[2-[4-(phenylcarbonyl)piperazin-1-yl]ethylamino]methylidene]cyclohexane-1,3-dione

Systemtic Name: 5-(4-tert-butylphenyl)-2-[[2-[4-(phenylcarbonyl)piperazin-1-yl]ethylamino]methylidene]cyclohexane-1,3-dione Openeye Name: 2-[[2-(4-benzoylpiperazin-1-yl)ethylamino]methylene]-5-(4-tert-butylphenyl)cyclohexane-1,3-dione CAS Name: 2-[[2-(4-benzoyl-1-piperazinyl)ethylamino]methylidene]-5-(4-tert-butylphenyl)cyclohexane-1,3-dione IUPAC Name: 2-[[2-(4-benzoylpiperazin-1-yl)ethylamino]methylidene]-5-(4-tert-butylphenyl)cyclohexane-1,3-dione Traditional Name: 2-[[2-(4-benzoylpiperazino)ethylamino]methylene]-5-(4-tert-butylphenyl)cyclohexane-1,3-quinone Formula: C30H37N3O3 MolecularWeight: 487.63308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2CC(=O)C(=CNCCN3CCN(CC3)C(=O)C4=CC=CC=C4)C(=O)C2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2CC(=O)C(=CNCCN3CCN(CC3)C(=O)C4=CC=CC=C4)C(=O)C2

InChI

InChI=1S/C30H37N3O3/c1-30(2,3)25-11-9-22(10-12-25)24-19-27(34)26(28(35)20-24)21-31-13-14-32-15-17-33(18-16-32)29(36)23-7-5-4-6-8-23/h4-12,21,24,31H,13-20H2,1-3H3