4-[3-[3-(6,7-dimethoxy-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl)piperidin-1-yl]propoxy]benzenecarbonitrile

Systemtic Name: 4-[3-[3-(6,7-dimethoxy-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl)piperidin-1-yl]propoxy]benzenecarbonitrile Openeye Name: 4-[3-[3-(6,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-1-piperidyl]propoxy]benzonitrile CAS Name: 4-[3-[3-(6,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-1-piperidinyl]propoxy]benzonitrile IUPAC Name: 4-[3-[3-(6,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)piperidin-1-yl]propoxy]benzonitrile Traditional Name: 4-[3-[3-(1-keto-6,7-dimethoxy-3,4-dihydroisoquinolin-2-yl)piperidino]propoxy]benzonitrile Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN(C2=O)C3CCCN(C3)CCCOC4=CC=C(C=C4)C#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN(C2=O)C3CCCN(C3)CCCOC4=CC=C(C=C4)C#N)OC

InChI

InChI=1S/C26H31N3O4/c1-31-24-15-20-10-13-29(26(30)23(20)16-25(24)32-2)21-5-3-11-28(18-21)12-4-14-33-22-8-6-19(17-27)7-9-22/h6-9,15-16,21H,3-5,10-14,18H2,1-2H3