4-[3-chloranyl-4-(oxan-4-yloxy)phenyl]-1-(3-methylbutyl)-2-oxidanylidene-pyridine-3-carbonitrile

Systemtic Name: 4-[3-chloranyl-4-(oxan-4-yloxy)phenyl]-1-(3-methylbutyl)-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 4-(3-chloro-4-tetrahydropyran-4-yloxy-phenyl)-1-isopentyl-2-oxo-pyridine-3-carbonitrile CAS Name: 4-[3-chloro-4-(4-oxanyloxy)phenyl]-1-(3-methylbutyl)-2-oxo-3-pyridinecarbonitrile IUPAC Name: 4-[3-chloro-4-(oxan-4-yloxy)phenyl]-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile Traditional Name: 4-(3-chloro-4-tetrahydropyran-4-yloxy-phenyl)-1-isoamyl-2-keto-nicotinonitrile Formula: C22H25ClN2O3 MolecularWeight: 400.8985

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=CC(=C(C1=O)C#N)C2=CC(=C(C=C2)OC3CCOCC3)Cl

Isomeric SMILES

CC(C)CCN1C=CC(=C(C1=O)C#N)C2=CC(=C(C=C2)OC3CCOCC3)Cl

InChI

InChI=1S/C22H25ClN2O3/c1-15(2)5-9-25-10-6-18(19(14-24)22(25)26)16-3-4-21(20(23)13-16)28-17-7-11-27-12-8-17/h3-4,6,10,13,15,17H,5,7-9,11-12H2,1-2H3