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

Systemtic Name: 2-[2-[4-(phenylcarbonyl)piperazin-1-yl]ethyliminomethyl]-5-thiophen-2-yl-cyclohexane-1,3-dione Openeye Name: 2-[2-(4-benzoylpiperazin-1-yl)ethyliminomethyl]-5-(2-thienyl)cyclohexane-1,3-dione CAS Name: 2-[2-(4-benzoyl-1-piperazinyl)ethyliminomethyl]-5-thiophen-2-ylcyclohexane-1,3-dione IUPAC Name: 2-[2-(4-benzoylpiperazin-1-yl)ethyliminomethyl]-5-thiophen-2-ylcyclohexane-1,3-dione Traditional Name: 2-[2-(4-benzoylpiperazino)ethyliminomethyl]-5-(2-thienyl)cyclohexane-1,3-quinone Formula: C24H27N3O3S MolecularWeight: 437.55448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCN=CC2C(=O)CC(CC2=O)C3=CC=CS3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCN=CC2C(=O)CC(CC2=O)C3=CC=CS3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H27N3O3S/c28-21-15-19(23-7-4-14-31-23)16-22(29)20(21)17-25-8-9-26-10-12-27(13-11-26)24(30)18-5-2-1-3-6-18/h1-7,14,17,19-20H,8-13,15-16H2