2-[2-(4-chloranyl-2,6-dimethyl-phenoxy)-6-methyl-4-(pentan-3-ylamino)pyridin-3-yl]ethanenitrile

Systemtic Name: 2-[2-(4-chloranyl-2,6-dimethyl-phenoxy)-6-methyl-4-(pentan-3-ylamino)pyridin-3-yl]ethanenitrile Openeye Name: 2-[2-(4-chloro-2,6-dimethyl-phenoxy)-4-(1-ethylpropylamino)-6-methyl-3-pyridyl]acetonitrile CAS Name: 2-[2-(4-chloro-2,6-dimethylphenoxy)-6-methyl-4-(pentan-3-ylamino)-3-pyridinyl]acetonitrile IUPAC Name: 2-[2-(4-chloro-2,6-dimethylphenoxy)-6-methyl-4-(pentan-3-ylamino)pyridin-3-yl]acetonitrile Traditional Name: 2-[2-(4-chloro-2,6-dimethyl-phenoxy)-4-(1-ethylpropylamino)-6-methyl-3-pyridyl]acetonitrile Formula: C21H26ClN3O MolecularWeight: 371.90364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=CC(=NC(=C1CC#N)OC2=C(C=C(C=C2C)Cl)C)C

Isomeric SMILES

CCC(CC)NC1=CC(=NC(=C1CC#N)OC2=C(C=C(C=C2C)Cl)C)C

InChI

InChI=1S/C21H26ClN3O/c1-6-17(7-2)25-19-12-15(5)24-21(18(19)8-9-23)26-20-13(3)10-16(22)11-14(20)4/h10-12,17H,6-8H2,1-5H3,(H,24,25)