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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CC(=CC=C3)C

Isomeric SMILES

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

InChI

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