4-[1-(1,3-benzodioxol-5-yl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-3-methoxy-benzenecarbonitrile

Systemtic Name: 4-[1-(1,3-benzodioxol-5-yl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-3-methoxy-benzenecarbonitrile Openeye Name: 4-[1-(1,3-benzodioxol-5-yl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-3-methoxy-benzonitrile CAS Name: 4-[1-(1,3-benzodioxol-5-yl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-3-methoxybenzonitrile IUPAC Name: 4-[1-(1,3-benzodioxol-5-yl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-3-methoxybenzonitrile Traditional Name: 4-[1-(1,3-benzodioxol-5-yl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-3-methoxy-benzonitrile Formula: C27H26N2O4 MolecularWeight: 442.50634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OC(CCN2CCC3=CC=CC=C3C2)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OC(CCN2CCC3=CC=CC=C3C2)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H26N2O4/c1-30-26-14-19(16-28)6-8-25(26)33-23(21-7-9-24-27(15-21)32-18-31-24)11-13-29-12-10-20-4-2-3-5-22(20)17-29/h2-9,14-15,23H,10-13,17-18H2,1H3