1-(2,5-dimethylphenyl)-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(2,5-dimethylphenyl)-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butane-1,4-dione Openeye Name: 1-(2,5-dimethylphenyl)-4-[4-(3-pyridylmethyl)piperazin-1-yl]butane-1,4-dione CAS Name: 1-(2,5-dimethylphenyl)-4-[4-(3-pyridinylmethyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(2,5-dimethylphenyl)-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butane-1,4-dione Traditional Name: 1-(2,5-dimethylphenyl)-4-[4-(3-pyridylmethyl)piperazino]butane-1,4-dione Formula: C22H27N3O2 MolecularWeight: 365.46868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)N2CCN(CC2)CC3=CN=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)N2CCN(CC2)CC3=CN=CC=C3

InChI

InChI=1S/C22H27N3O2/c1-17-5-6-18(2)20(14-17)21(26)7-8-22(27)25-12-10-24(11-13-25)16-19-4-3-9-23-15-19/h3-6,9,14-15H,7-8,10-13,16H2,1-2H3