(E)-3-(1-pyridin-3-yl-1H-phthalazin-2-yl)prop-2-enal

Systemtic Name: (E)-3-(1-pyridin-3-yl-1H-phthalazin-2-yl)prop-2-enal Openeye Name: (E)-3-[1-(3-pyridyl)-1H-phthalazin-2-yl]prop-2-enal CAS Name: (E)-3-[1-(3-pyridinyl)-1H-phthalazin-2-yl]-2-propenal IUPAC Name: (E)-3-(1-pyridin-3-yl-1H-phthalazin-2-yl)prop-2-enal Traditional Name: (E)-3-[1-(3-pyridyl)-1H-phthalazin-2-yl]acrolein Formula: C16H13N3O MolecularWeight: 263.29392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(N(N=CC2=C1)C=CC=O)C3=CN=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O/c20-10-4-9-19-16(14-6-3-8-17-11-14)15-7-2-1-5-13(15)12-18-19/h1-12,16H/b9-4+