N-[(Z)-1-[4-(2-methylpropoxy)phenyl]ethylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[(Z)-1-[4-(2-methylpropoxy)phenyl]ethylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(Z)-1-(4-isobutoxyphenyl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(Z)-1-[4-(2-methylpropoxy)phenyl]ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(Z)-1-[4-(2-methylpropoxy)phenyl]ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[(Z)-1-(4-isobutoxyphenyl)ethylideneamino]-4-keto-3H-phthalazine-1-carboxamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=NNC(=O)C2=NNC(=O)C3=CC=CC=C32)C

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)/C(=N\NC(=O)C2=NNC(=O)C3=CC=CC=C32)/C

InChI

InChI=1S/C21H22N4O3/c1-13(2)12-28-16-10-8-15(9-11-16)14(3)22-25-21(27)19-17-6-4-5-7-18(17)20(26)24-23-19/h4-11,13H,12H2,1-3H3,(H,24,26)(H,25,27)/b22-14-