(E)-3-[1-(5-chloranylpyridin-2-yl)-1H-phthalazin-2-yl]prop-2-enal

Systemtic Name: (E)-3-[1-(5-chloranylpyridin-2-yl)-1H-phthalazin-2-yl]prop-2-enal Openeye Name: (E)-3-[1-(5-chloro-2-pyridyl)-1H-phthalazin-2-yl]prop-2-enal CAS Name: (E)-3-[1-(5-chloro-2-pyridinyl)-1H-phthalazin-2-yl]-2-propenal IUPAC Name: (E)-3-[1-(5-chloropyridin-2-yl)-1H-phthalazin-2-yl]prop-2-enal Traditional Name: (E)-3-[1-(5-chloro-2-pyridyl)-1H-phthalazin-2-yl]acrolein Formula: C16H12ClN3O MolecularWeight: 297.73898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(N(N=CC2=C1)C=CC=O)C3=NC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(N(N=CC2=C1)/C=C/C=O)C3=NC=C(C=C3)Cl

InChI

InChI=1S/C16H12ClN3O/c17-13-6-7-15(18-11-13)16-14-5-2-1-4-12(14)10-19-20(16)8-3-9-21/h1-11,16H/b8-3+