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

Systemtic Name: (E)-2-(4-chlorophenyl)carbonyl-3-(pyridin-2-ylamino)hept-2-enenitrile Openeye Name: (E)-2-(4-chlorobenzoyl)-3-(2-pyridylamino)hept-2-enenitrile CAS Name: (E)-2-[(4-chlorophenyl)-oxomethyl]-3-(2-pyridinylamino)-2-heptenenitrile IUPAC Name: (E)-2-(4-chlorobenzoyl)-3-(pyridin-2-ylamino)hept-2-enenitrile Traditional Name: (E)-2-(4-chlorobenzoyl)-3-(2-pyridylamino)hept-2-enenitrile Formula: C19H18ClN3O MolecularWeight: 339.81872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O/c1-2-3-6-17(23-18-7-4-5-12-22-18)16(13-21)19(24)14-8-10-15(20)11-9-14/h4-5,7-12H,2-3,6H2,1H3,(H,22,23)/b17-16+