N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(Z)-1-[4-(1-imidazolyl)phenyl]ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-4-keto-3H-phthalazine-1-carboxamide Formula: C20H16N6O2 MolecularWeight: 372.38004

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=NNC(=O)C2=CC=CC=C21)C3=CC=C(C=C3)N4C=CN=C4

Isomeric SMILES

C/C(=N/NC(=O)C1=NNC(=O)C2=CC=CC=C21)/C3=CC=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C20H16N6O2/c1-13(14-6-8-15(9-7-14)26-11-10-21-12-26)22-25-20(28)18-16-4-2-3-5-17(16)19(27)24-23-18/h2-12H,1H3,(H,24,27)(H,25,28)/b22-13-