2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-(4-methoxyphenyl)indene-1,3-dione

Systemtic Name: 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-(4-methoxyphenyl)indene-1,3-dione Openeye Name: 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-(4-methoxyphenyl)indane-1,3-dione CAS Name: 2-[4-(2,5-dimethylphenyl)-1-piperazinyl]-2-(4-methoxyphenyl)indene-1,3-dione IUPAC Name: 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-(4-methoxyphenyl)indene-1,3-dione Traditional Name: 2-[4-(2,5-dimethylphenyl)piperazino]-2-(4-methoxyphenyl)indane-1,3-quinone Formula: C28H28N2O3 MolecularWeight: 440.53352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C3(C(=O)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C3(C(=O)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)OC

InChI

InChI=1S/C28H28N2O3/c1-19-8-9-20(2)25(18-19)29-14-16-30(17-15-29)28(21-10-12-22(33-3)13-11-21)26(31)23-6-4-5-7-24(23)27(28)32/h4-13,18H,14-17H2,1-3H3