5,6-dimethoxy-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]-2,3-dihydroinden-1-one dichloride

Systemtic Name: 5,6-dimethoxy-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]-2,3-dihydroinden-1-one dichloride Openeye Name: 2-[(4-benzylpiperazin-1-yl)methyl]-5,6-dimethoxy-indan-1-one dichloride CAS Name: 5,6-dimethoxy-2-[[4-(phenylmethyl)-1-piperazinyl]methyl]-2,3-dihydroinden-1-one dichloride IUPAC Name: 2-[(4-benzylpiperazin-1-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one dichloride Traditional Name: 2-[(4-benzylpiperazino)methyl]-5,6-dimethoxy-indan-1-one dichloride Formula: C23H28Cl2N2O3-2 MolecularWeight: 451.38602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC(C2=O)CN3CCN(CC3)CC4=CC=CC=C4)OC.[Cl-].[Cl-]

Isomeric SMILES

COC1=C(C=C2C(=C1)CC(C2=O)CN3CCN(CC3)CC4=CC=CC=C4)OC.[Cl-].[Cl-]

InChI

InChI=1S/C23H28N2O3.2ClH/c1-27-21-13-18-12-19(23(26)20(18)14-22(21)28-2)16-25-10-8-24(9-11-25)15-17-6-4-3-5-7-17;;/h3-7,13-14,19H,8-12,15-16H2,1-2H3;2*1H/p-2