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

Systemtic Name: 2-[2-(4-chloranyl-2,6-dimethyl-phenoxy)-4-[(pentan-3-ylamino)methyl]pyridin-3-yl]ethanenitrile; hydron; chloride Openeye Name: 2-[2-(4-chloro-2,6-dimethyl-phenoxy)-4-[(1-ethylpropylamino)methyl]-3-pyridyl]acetonitrile; hydron; chloride CAS Name: 2-[2-(4-chloro-2,6-dimethylphenoxy)-4-[(pentan-3-ylamino)methyl]-3-pyridinyl]acetonitrile; hydron; chloride IUPAC Name: 2-[2-(4-chloro-2,6-dimethylphenoxy)-4-[(pentan-3-ylamino)methyl]pyridin-3-yl]acetonitrile; hydron; chloride Traditional Name: 2-[2-(4-chloro-2,6-dimethyl-phenoxy)-4-[(1-ethylpropylamino)methyl]-3-pyridyl]acetonitrile; hydron; chloride Formula: C21H27Cl2N3O MolecularWeight: 408.36458

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Descriptors Computed from Structure

Canonical SMILES:

[H+].CCC(CC)NCC1=C(C(=NC=C1)OC2=C(C=C(C=C2C)Cl)C)CC#N.[Cl-]

Isomeric SMILES

[H+].CCC(CC)NCC1=C(C(=NC=C1)OC2=C(C=C(C=C2C)Cl)C)CC#N.[Cl-]

InChI

InChI=1S/C21H26ClN3O.ClH/c1-5-18(6-2)25-13-16-8-10-24-21(19(16)7-9-23)26-20-14(3)11-17(22)12-15(20)4;/h8,10-12,18,25H,5-7,13H2,1-4H3;1H