3-methyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-methyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-methyl-N-[(E)-(4-morpholinophenyl)methyleneamino]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-methyl-N-[(E)-[4-(4-morpholinyl)phenyl]methylideneamino]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-methyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-[(E)-(4-morpholinobenzylidene)amino]phthalazine-1-carboxamide Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CC=C(C=C3)N4CCOCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C/C3=CC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C21H21N5O3/c1-25-21(28)18-5-3-2-4-17(18)19(24-25)20(27)23-22-14-15-6-8-16(9-7-15)26-10-12-29-13-11-26/h2-9,14H,10-13H2,1H3,(H,23,27)/b22-14+