5-(4-chlorophenyl)-2-oxidanylidene-1-pent-2-ynyl-pyridine-3-carbonitrile; 5-(4-chlorophenyl)-2-oxidanylidene-1H-pyridine-3-carbonitrile

Systemtic Name: 5-(4-chlorophenyl)-2-oxidanylidene-1-pent-2-ynyl-pyridine-3-carbonitrile; 5-(4-chlorophenyl)-2-oxidanylidene-1H-pyridine-3-carbonitrile Openeye Name: 5-(4-chlorophenyl)-2-oxo-1-pent-2-ynyl-pyridine-3-carbonitrile; 5-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile CAS Name: 5-(4-chlorophenyl)-2-oxo-1-pent-2-ynyl-3-pyridinecarbonitrile; 5-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile IUPAC Name: 5-(4-chlorophenyl)-2-oxo-1-pent-2-ynylpyridine-3-carbonitrile; 5-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile Traditional Name: 5-(4-chlorophenyl)-2-keto-1-pent-2-ynyl-nicotinonitrile; 5-(4-chlorophenyl)-2-keto-1H-pyridine-3-carbonitrile Formula: C29H20Cl2N4O2 MolecularWeight: 527.4007

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CCN1C=C(C=C(C1=O)C#N)C2=CC=C(C=C2)Cl.C1=CC(=CC=C1C2=CNC(=O)C(=C2)C#N)Cl

Isomeric SMILES

CCC#CCN1C=C(C=C(C1=O)C#N)C2=CC=C(C=C2)Cl.C1=CC(=CC=C1C2=CNC(=O)C(=C2)C#N)Cl

InChI

InChI=1S/C17H13ClN2O.C12H7ClN2O/c1-2-3-4-9-20-12-15(10-14(11-19)17(20)21)13-5-7-16(18)8-6-13;13-11-3-1-8(2-4-11)10-5-9(6-14)12(16)15-7-10/h5-8,10,12H,2,9H2,1H3;1-5,7H,(H,15,16)