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

Systemtic Name: 1-(3,4-dimethylphenyl)-4-[4-(2-hydroxyphenyl)piperazin-1-yl]butane-1,4-dione Openeye Name: 1-(3,4-dimethylphenyl)-4-[4-(2-hydroxyphenyl)piperazin-1-yl]butane-1,4-dione CAS Name: 1-(3,4-dimethylphenyl)-4-[4-(2-hydroxyphenyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(3,4-dimethylphenyl)-4-[4-(2-hydroxyphenyl)piperazin-1-yl]butane-1,4-dione Traditional Name: 1-(3,4-dimethylphenyl)-4-[4-(2-hydroxyphenyl)piperazino]butane-1,4-dione Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=C3O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=C3O)C

InChI

InChI=1S/C22H26N2O3/c1-16-7-8-18(15-17(16)2)20(25)9-10-22(27)24-13-11-23(12-14-24)19-5-3-4-6-21(19)26/h3-8,15,26H,9-14H2,1-2H3