1-(2,5-dimethylphenyl)-4-(4-pyridin-4-ylpiperazin-1-yl)butane-1,4-dione

Systemtic Name: 1-(2,5-dimethylphenyl)-4-(4-pyridin-4-ylpiperazin-1-yl)butane-1,4-dione Openeye Name: 1-(2,5-dimethylphenyl)-4-[4-(4-pyridyl)piperazin-1-yl]butane-1,4-dione CAS Name: 1-(2,5-dimethylphenyl)-4-(4-pyridin-4-yl-1-piperazinyl)butane-1,4-dione IUPAC Name: 1-(2,5-dimethylphenyl)-4-(4-pyridin-4-ylpiperazin-1-yl)butane-1,4-dione Traditional Name: 1-(2,5-dimethylphenyl)-4-[4-(4-pyridyl)piperazino]butane-1,4-dione Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)N2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)N2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C21H25N3O2/c1-16-3-4-17(2)19(15-16)20(25)5-6-21(26)24-13-11-23(12-14-24)18-7-9-22-10-8-18/h3-4,7-10,15H,5-6,11-14H2,1-2H3