N-[(Z)-(2,5-dimethylphenyl)methylideneamino]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[(Z)-(2,5-dimethylphenyl)methylideneamino]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[(Z)-(2,5-dimethylphenyl)methyleneamino]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[(Z)-(2,5-dimethylphenyl)methylideneamino]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[(Z)-(2,5-dimethylphenyl)methylideneamino]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[(Z)-(2,5-dimethylbenzylidene)amino]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=C(C=CC(=C3)C)C

Isomeric SMILES

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

InChI

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