1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-(4-pentoxyphenyl)butane-1,4-dione

Systemtic Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-(4-pentoxyphenyl)butane-1,4-dione Openeye Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-(4-pentoxyphenyl)butane-1,4-dione CAS Name: 1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-4-(4-pentoxyphenyl)butane-1,4-dione IUPAC Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-(4-pentoxyphenyl)butane-1,4-dione Traditional Name: 1-(4-amoxyphenyl)-4-[4-(2,3-dimethylphenyl)piperazino]butane-1,4-dione Formula: C27H36N2O3 MolecularWeight: 436.58634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C3=CC=CC(=C3C)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C3=CC=CC(=C3C)C

InChI

InChI=1S/C27H36N2O3/c1-4-5-6-20-32-24-12-10-23(11-13-24)26(30)14-15-27(31)29-18-16-28(17-19-29)25-9-7-8-21(2)22(25)3/h7-13H,4-6,14-20H2,1-3H3