4-oxidanylidene-N-[(E)-1-phenylpropylideneamino]-3-propyl-phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-N-[(E)-1-phenylpropylideneamino]-3-propyl-phthalazine-1-carboxamide Openeye Name: 4-oxo-N-[(E)-1-phenylpropylideneamino]-3-propyl-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[(E)-1-phenylpropylideneamino]-3-propyl-1-phthalazinecarboxamide IUPAC Name: 4-oxo-N-[(E)-1-phenylpropylideneamino]-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[(E)-1-phenylpropylideneamino]-3-propyl-phthalazine-1-carboxamide Formula: C21H22N4O2 MolecularWeight: 362.42498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=C(CC)C3=CC=CC=C3

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C(\CC)/C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O2/c1-3-14-25-21(27)17-13-9-8-12-16(17)19(24-25)20(26)23-22-18(4-2)15-10-6-5-7-11-15/h5-13H,3-4,14H2,1-2H3,(H,23,26)/b22-18+