5-(4-methylphenyl)-2-[(2-piperazin-1-ylethylamino)methylidene]cyclohexane-1,3-dione

Systemtic Name: 5-(4-methylphenyl)-2-[(2-piperazin-1-ylethylamino)methylidene]cyclohexane-1,3-dione Openeye Name: 2-[(2-piperazin-1-ylethylamino)methylene]-5-(p-tolyl)cyclohexane-1,3-dione CAS Name: 5-(4-methylphenyl)-2-[[2-(1-piperazinyl)ethylamino]methylidene]cyclohexane-1,3-dione IUPAC Name: 5-(4-methylphenyl)-2-[(2-piperazin-1-ylethylamino)methylidene]cyclohexane-1,3-dione Traditional Name: 2-[(2-piperazinoethylamino)methylene]-5-(p-tolyl)cyclohexane-1,3-quinone Formula: C20H27N3O2 MolecularWeight: 341.44728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=O)C(=CNCCN3CCNCC3)C(=O)C2

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=O)C(=CNCCN3CCNCC3)C(=O)C2

InChI

InChI=1S/C20H27N3O2/c1-15-2-4-16(5-3-15)17-12-19(24)18(20(25)13-17)14-22-8-11-23-9-6-21-7-10-23/h2-5,14,17,21-22H,6-13H2,1H3