2-(2-piperazin-1-ylethyliminomethyl)-5-thiophen-2-yl-cyclohexane-1,3-dione

Systemtic Name: 2-(2-piperazin-1-ylethyliminomethyl)-5-thiophen-2-yl-cyclohexane-1,3-dione Openeye Name: 2-(2-piperazin-1-ylethyliminomethyl)-5-(2-thienyl)cyclohexane-1,3-dione CAS Name: 2-[2-(1-piperazinyl)ethyliminomethyl]-5-thiophen-2-ylcyclohexane-1,3-dione IUPAC Name: 2-(2-piperazin-1-ylethyliminomethyl)-5-thiophen-2-ylcyclohexane-1,3-dione Traditional Name: 2-(2-piperazinoethyliminomethyl)-5-(2-thienyl)cyclohexane-1,3-quinone Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCN=CC2C(=O)CC(CC2=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCN1)CCN=CC2C(=O)CC(CC2=O)C3=CC=CS3

InChI

InChI=1S/C17H23N3O2S/c21-15-10-13(17-2-1-9-23-17)11-16(22)14(15)12-19-5-8-20-6-3-18-4-7-20/h1-2,9,12-14,18H,3-8,10-11H2