(E)-2-(4-chlorophenyl)carbonyl-3-(pyrimidin-2-ylamino)hept-2-enenitrile

Systemtic Name: (E)-2-(4-chlorophenyl)carbonyl-3-(pyrimidin-2-ylamino)hept-2-enenitrile Openeye Name: (E)-2-(4-chlorobenzoyl)-3-(pyrimidin-2-ylamino)hept-2-enenitrile CAS Name: (E)-2-[(4-chlorophenyl)-oxomethyl]-3-(2-pyrimidinylamino)-2-heptenenitrile IUPAC Name: (E)-2-(4-chlorobenzoyl)-3-(pyrimidin-2-ylamino)hept-2-enenitrile Traditional Name: (E)-2-(4-chlorobenzoyl)-3-(2-pyrimidylamino)hept-2-enenitrile Formula: C18H17ClN4O MolecularWeight: 340.80678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C(C#N)C(=O)C1=CC=C(C=C1)Cl)NC2=NC=CC=N2

Isomeric SMILES

CCCC/C(=C(/C#N)\C(=O)C1=CC=C(C=C1)Cl)/NC2=NC=CC=N2

InChI

InChI=1S/C18H17ClN4O/c1-2-3-5-16(23-18-21-10-4-11-22-18)15(12-20)17(24)13-6-8-14(19)9-7-13/h4,6-11H,2-3,5H2,1H3,(H,21,22,23)/b16-15+