2-(2,2-dimethylbutyl)-5-[3-(pyridin-2-ylamino)propoxy]benzenecarbonitrile

Systemtic Name: 2-(2,2-dimethylbutyl)-5-[3-(pyridin-2-ylamino)propoxy]benzenecarbonitrile Openeye Name: 2-(2,2-dimethylbutyl)-5-[3-(2-pyridylamino)propoxy]benzonitrile CAS Name: 2-(2,2-dimethylbutyl)-5-[3-(2-pyridinylamino)propoxy]benzonitrile IUPAC Name: 2-(2,2-dimethylbutyl)-5-[3-(pyridin-2-ylamino)propoxy]benzonitrile Traditional Name: 2-(2,2-dimethylbutyl)-5-[3-(2-pyridylamino)propoxy]benzonitrile Formula: C21H27N3O MolecularWeight: 337.45858

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)CC1=C(C=C(C=C1)OCCCNC2=CC=CC=N2)C#N

Isomeric SMILES

CCC(C)(C)CC1=C(C=C(C=C1)OCCCNC2=CC=CC=N2)C#N

InChI

InChI=1S/C21H27N3O/c1-4-21(2,3)15-17-9-10-19(14-18(17)16-22)25-13-7-12-24-20-8-5-6-11-23-20/h5-6,8-11,14H,4,7,12-13,15H2,1-3H3,(H,23,24)