4-[(E)-C-methyl-N-(phthalazin-1-ylamino)carbonimidoyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-C-methyl-N-(phthalazin-1-ylamino)carbonimidoyl]benzenecarbonitrile Openeye Name: 4-[(E)-C-methyl-N-(phthalazin-1-ylamino)carbonimidoyl]benzonitrile CAS Name: 4-[(1E)-1-(1-phthalazinylhydrazinylidene)ethyl]benzonitrile IUPAC Name: 4-[(E)-C-methyl-N-(phthalazin-1-ylamino)carbonimidoyl]benzonitrile Traditional Name: 4-[(E)-C-methyl-N-(phthalazin-1-ylamino)carbonimidoyl]benzonitrile Formula: C17H13N5 MolecularWeight: 287.31862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=NN=CC2=CC=CC=C21)C3=CC=C(C=C3)C#N

Isomeric SMILES

C/C(=N\NC1=NN=CC2=CC=CC=C21)/C3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H13N5/c1-12(14-8-6-13(10-18)7-9-14)20-22-17-16-5-3-2-4-15(16)11-19-21-17/h2-9,11H,1H3,(H,21,22)/b20-12+