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

Systemtic Name: 4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenyl-propoxy]-3-methoxy-benzenecarbonitrile Openeye Name: 4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenyl-propoxy]-3-methoxy-benzonitrile CAS Name: 4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylpropoxy]-3-methoxybenzonitrile IUPAC Name: 4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylpropoxy]-3-methoxybenzonitrile Traditional Name: 4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenyl-propoxy]-3-methoxy-benzonitrile Formula: C26H26N2O2 MolecularWeight: 398.49684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O2/c1-29-26-17-20(18-27)11-12-25(26)30-24(22-8-3-2-4-9-22)14-16-28-15-13-21-7-5-6-10-23(21)19-28/h2-12,17,24H,13-16,19H2,1H3