(2E)-5,7-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3H-inden-1-one

Systemtic Name: (2E)-5,7-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3H-inden-1-one Openeye Name: (2E)-2-[(1-benzyl-4-piperidyl)methylene]-5,7-dimethoxy-indan-1-one CAS Name: (2E)-5,7-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methylidene]-3H-inden-1-one IUPAC Name: (2E)-2-[(1-benzylpiperidin-4-yl)methylidene]-5,7-dimethoxy-3H-inden-1-one Traditional Name: (2E)-2-[(1-benzyl-4-piperidyl)methylene]-5,7-dimethoxy-indan-1-one Formula: C24H27NO3 MolecularWeight: 377.47608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)CC(=CC3CCN(CC3)CC4=CC=CC=C4)C2=O)OC

Isomeric SMILES

COC1=CC(=C2C(=C1)C/C(=C\C3CCN(CC3)CC4=CC=CC=C4)/C2=O)OC

InChI

InChI=1S/C24H27NO3/c1-27-21-14-19-13-20(24(26)23(19)22(15-21)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,12,14-15,17H,8-11,13,16H2,1-2H3/b20-12+