N-[(Z)-[4-(3-methylbutoxy)phenyl]methylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[(Z)-[4-(3-methylbutoxy)phenyl]methylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(Z)-(4-isopentyloxyphenyl)methyleneamino]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(Z)-[4-(3-methylbutoxy)phenyl]methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(Z)-[4-(3-methylbutoxy)phenyl]methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[(Z)-(4-isoamoxybenzylidene)amino]-4-keto-3H-phthalazine-1-carboxamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C=NNC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)/C=N\NC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C21H22N4O3/c1-14(2)11-12-28-16-9-7-15(8-10-16)13-22-24-21(27)19-17-5-3-4-6-18(17)20(26)25-23-19/h3-10,13-14H,11-12H2,1-2H3,(H,24,27)(H,25,26)/b22-13-