2-[2-[4-(3-methylbutanoyl)piperazin-1-yl]ethyliminomethyl]-5-phenyl-cyclohexane-1,3-dione

Systemtic Name: 2-[2-[4-(3-methylbutanoyl)piperazin-1-yl]ethyliminomethyl]-5-phenyl-cyclohexane-1,3-dione Openeye Name: 2-[2-[4-(3-methylbutanoyl)piperazin-1-yl]ethyliminomethyl]-5-phenyl-cyclohexane-1,3-dione CAS Name: 2-[2-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]ethyliminomethyl]-5-phenylcyclohexane-1,3-dione IUPAC Name: 2-[2-[4-(3-methylbutanoyl)piperazin-1-yl]ethyliminomethyl]-5-phenylcyclohexane-1,3-dione Traditional Name: 2-[2-(4-isovalerylpiperazino)ethyliminomethyl]-5-phenyl-cyclohexane-1,3-quinone Formula: C24H33N3O3 MolecularWeight: 411.53712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)CCN=CC2C(=O)CC(CC2=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)CCN=CC2C(=O)CC(CC2=O)C3=CC=CC=C3

InChI

InChI=1S/C24H33N3O3/c1-18(2)14-24(30)27-12-10-26(11-13-27)9-8-25-17-21-22(28)15-20(16-23(21)29)19-6-4-3-5-7-19/h3-7,17-18,20-21H,8-16H2,1-2H3