2-(4-methoxyphenyl)-3-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]inden-1-one

Systemtic Name: 2-(4-methoxyphenyl)-3-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]inden-1-one Openeye Name: 2-(4-methoxyphenyl)-3-[(3S)-3-methyl-4-(m-tolyl)piperazin-1-yl]inden-1-one CAS Name: 2-(4-methoxyphenyl)-3-[(3S)-3-methyl-4-(3-methylphenyl)-1-piperazinyl]-1-indenone IUPAC Name: 2-(4-methoxyphenyl)-3-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]inden-1-one Traditional Name: 2-(4-methoxyphenyl)-3-[(3S)-3-methyl-4-(m-tolyl)piperazino]inden-1-one Formula: C28H28N2O2 MolecularWeight: 424.53412

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C3=C(C(=O)C4=CC=CC=C43)C5=CC=C(C=C5)OC

Isomeric SMILES

C[C@H]1CN(CCN1C2=CC=CC(=C2)C)C3=C(C(=O)C4=CC=CC=C43)C5=CC=C(C=C5)OC

InChI

InChI=1S/C28H28N2O2/c1-19-7-6-8-22(17-19)30-16-15-29(18-20(30)2)27-24-9-4-5-10-25(24)28(31)26(27)21-11-13-23(32-3)14-12-21/h4-14,17,20H,15-16,18H2,1-3H3/t20-/m0/s1