3-[[4-[(5,6-dimethoxy-3-oxidanylidene-1,2-dihydroinden-2-yl)methyl]piperidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-[(5,6-dimethoxy-3-oxidanylidene-1,2-dihydroinden-2-yl)methyl]piperidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[(5,6-dimethoxy-1-oxo-indan-2-yl)methyl]-1-piperidyl]methyl]benzonitrile CAS Name: 3-[[4-[(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)methyl]-1-piperidinyl]methyl]benzonitrile IUPAC Name: 3-[[4-[(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)methyl]piperidin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[(1-keto-5,6-dimethoxy-indan-2-yl)methyl]piperidino]methyl]benzonitrile Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O3/c1-29-23-13-20-12-21(25(28)22(20)14-24(23)30-2)11-17-6-8-27(9-7-17)16-19-5-3-4-18(10-19)15-26/h3-5,10,13-14,17,21H,6-9,11-12,16H2,1-2H3