1-(2-methoxy-5-methyl-phenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione

Systemtic Name: 1-(2-methoxy-5-methyl-phenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione Openeye Name: 1-(2-methoxy-5-methyl-phenyl)-4-[4-(2-pyridyl)piperazin-1-yl]butane-1,4-dione CAS Name: 1-(2-methoxy-5-methylphenyl)-4-[4-(2-pyridinyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(2-methoxy-5-methylphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione Traditional Name: 1-(2-methoxy-5-methyl-phenyl)-4-[4-(2-pyridyl)piperazino]butane-1,4-dione Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C21H25N3O3/c1-16-6-8-19(27-2)17(15-16)18(25)7-9-21(26)24-13-11-23(12-14-24)20-5-3-4-10-22-20/h3-6,8,10,15H,7,9,11-14H2,1-2H3