3-butyl-N-[(E)-(2-methylphenyl)methylideneamino]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-butyl-N-[(E)-(2-methylphenyl)methylideneamino]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-[(E)-o-tolylmethyleneamino]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-[(E)-(2-methylphenyl)methylideneamino]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-[(E)-(2-methylphenyl)methylideneamino]-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-4-keto-N-[(E)-(2-methylbenzylidene)amino]phthalazine-1-carboxamide Formula: C21H22N4O2 MolecularWeight: 362.42498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CC=CC=C3C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C/C3=CC=CC=C3C

InChI

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