3-[3,4-bis(chloranyl)phenoxy]-6-(4-propan-2-ylpiperazin-1-yl)carbonyl-pyridine-2-carbonitrile

Systemtic Name: 3-[3,4-bis(chloranyl)phenoxy]-6-(4-propan-2-ylpiperazin-1-yl)carbonyl-pyridine-2-carbonitrile Openeye Name: 3-(3,4-dichlorophenoxy)-6-(4-isopropylpiperazine-1-carbonyl)pyridine-2-carbonitrile CAS Name: 3-(3,4-dichlorophenoxy)-6-[oxo-(4-propan-2-yl-1-piperazinyl)methyl]-2-pyridinecarbonitrile IUPAC Name: 3-(3,4-dichlorophenoxy)-6-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-2-carbonitrile Traditional Name: 3-(3,4-dichlorophenoxy)-6-(4-isopropylpiperazine-1-carbonyl)picolinonitrile Formula: C20H20Cl2N4O2 MolecularWeight: 419.3044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)C(=O)C2=NC(=C(C=C2)OC3=CC(=C(C=C3)Cl)Cl)C#N

Isomeric SMILES

CC(C)N1CCN(CC1)C(=O)C2=NC(=C(C=C2)OC3=CC(=C(C=C3)Cl)Cl)C#N

InChI

InChI=1S/C20H20Cl2N4O2/c1-13(2)25-7-9-26(10-8-25)20(27)17-5-6-19(18(12-23)24-17)28-14-3-4-15(21)16(22)11-14/h3-6,11,13H,7-10H2,1-2H3