N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-4-keto-3H-phthalazine-1-carboxamide Formula: C21H22N4O2 MolecularWeight: 362.42498

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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)C(C)(C)C

Isomeric SMILES

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

InChI

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