2-[2-(3,4-dimethoxyphenyl)ethylamino]-5-phenyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-5-phenyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-5-phenyl-pyridine-3-carbonitrile CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-5-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-5-phenylpyridine-3-carbonitrile Traditional Name: 2-(homoveratrylamino)-5-phenyl-nicotinonitrile Formula: C22H21N3O2 MolecularWeight: 359.42104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC=C(C=C2C#N)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC=C(C=C2C#N)C3=CC=CC=C3)OC

InChI

InChI=1S/C22H21N3O2/c1-26-20-9-8-16(12-21(20)27-2)10-11-24-22-18(14-23)13-19(15-25-22)17-6-4-3-5-7-17/h3-9,12-13,15H,10-11H2,1-2H3,(H,24,25)