2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(1H-indol-3-yl)ethanenitrile

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(1H-indol-3-yl)ethanenitrile Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(1H-indol-3-yl)acetonitrile CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(1H-indol-3-yl)acetonitrile IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(1H-indol-3-yl)acetonitrile Traditional Name: 2-(homoveratrylamino)-2-(1H-indol-3-yl)acetonitrile Formula: C20H21N3O2 MolecularWeight: 335.39964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(C#N)C2=CNC3=CC=CC=C32)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(C#N)C2=CNC3=CC=CC=C32)OC

InChI

InChI=1S/C20H21N3O2/c1-24-19-8-7-14(11-20(19)25-2)9-10-22-18(12-21)16-13-23-17-6-4-3-5-15(16)17/h3-8,11,13,18,22-23H,9-10H2,1-2H3