3-[3-(1H-indol-3-yl)-2-methyl-propoxy]-5-isoquinolin-6-yl-benzenecarbonitrile

Systemtic Name: 3-[3-(1H-indol-3-yl)-2-methyl-propoxy]-5-isoquinolin-6-yl-benzenecarbonitrile Openeye Name: 3-[3-(1H-indol-3-yl)-2-methyl-propoxy]-5-(6-isoquinolyl)benzonitrile CAS Name: 3-[3-(1H-indol-3-yl)-2-methylpropoxy]-5-(6-isoquinolinyl)benzonitrile IUPAC Name: 3-[3-(1H-indol-3-yl)-2-methylpropoxy]-5-isoquinolin-6-ylbenzonitrile Traditional Name: 3-[3-(1H-indol-3-yl)-2-methyl-propoxy]-5-(6-isoquinolyl)benzonitrile Formula: C28H23N3O MolecularWeight: 417.50172

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CNC2=CC=CC=C21)COC3=CC(=CC(=C3)C4=CC5=C(C=C4)C=NC=C5)C#N

Isomeric SMILES

CC(CC1=CNC2=CC=CC=C21)COC3=CC(=CC(=C3)C4=CC5=C(C=C4)C=NC=C5)C#N

InChI

InChI=1S/C28H23N3O/c1-19(10-25-17-31-28-5-3-2-4-27(25)28)18-32-26-12-20(15-29)11-24(14-26)21-6-7-23-16-30-9-8-22(23)13-21/h2-9,11-14,16-17,19,31H,10,18H2,1H3