N-[(Z)-hexan-2-ylideneamino]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[(Z)-hexan-2-ylideneamino]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[(Z)-1-methylpentylideneamino]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[(Z)-hexan-2-ylideneamino]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[(Z)-hexan-2-ylideneamino]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[(Z)-1-methylpentylideneamino]-3-propyl-phthalazine-1-carboxamide Formula: C18H24N4O2 MolecularWeight: 328.40876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=NNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CCC)C

Isomeric SMILES

CCCC/C(=N\NC(=O)C1=NN(C(=O)C2=CC=CC=C21)CCC)/C

InChI

InChI=1S/C18H24N4O2/c1-4-6-9-13(3)19-20-17(23)16-14-10-7-8-11-15(14)18(24)22(21-16)12-5-2/h7-8,10-11H,4-6,9,12H2,1-3H3,(H,20,23)/b19-13-