1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-4-(4-methoxyphenyl)butane-1,4-dione

Systemtic Name: 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-4-(4-methoxyphenyl)butane-1,4-dione Openeye Name: 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-4-(4-methoxyphenyl)butane-1,4-dione CAS Name: 1-[4-(3,4-dichlorophenyl)-1-piperazinyl]-4-(4-methoxyphenyl)butane-1,4-dione IUPAC Name: 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-4-(4-methoxyphenyl)butane-1,4-dione Traditional Name: 1-[4-(3,4-dichlorophenyl)piperazino]-4-(4-methoxyphenyl)butane-1,4-dione Formula: C21H22Cl2N2O3 MolecularWeight: 421.31698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H22Cl2N2O3/c1-28-17-5-2-15(3-6-17)20(26)8-9-21(27)25-12-10-24(11-13-25)16-4-7-18(22)19(23)14-16/h2-7,14H,8-13H2,1H3