(E)-3-[1-(4-pyrrol-1-ylphenyl)-1H-phthalazin-2-yl]prop-2-enal

Systemtic Name: (E)-3-[1-(4-pyrrol-1-ylphenyl)-1H-phthalazin-2-yl]prop-2-enal Openeye Name: (E)-3-[1-(4-pyrrol-1-ylphenyl)-1H-phthalazin-2-yl]prop-2-enal CAS Name: (E)-3-[1-[4-(1-pyrrolyl)phenyl]-1H-phthalazin-2-yl]-2-propenal IUPAC Name: (E)-3-[1-(4-pyrrol-1-ylphenyl)-1H-phthalazin-2-yl]prop-2-enal Traditional Name: (E)-3-[1-(4-pyrrol-1-ylphenyl)-1H-phthalazin-2-yl]acrolein Formula: C21H17N3O MolecularWeight: 327.37918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(N(N=CC2=C1)C=CC=O)C3=CC=C(C=C3)N4C=CC=C4

Isomeric SMILES

C1=CC=C2C(N(N=CC2=C1)/C=C/C=O)C3=CC=C(C=C3)N4C=CC=C4

InChI

InChI=1S/C21H17N3O/c25-15-5-14-24-21(20-7-2-1-6-18(20)16-22-24)17-8-10-19(11-9-17)23-12-3-4-13-23/h1-16,21H/b14-5+