N-[(E)-1-(4-morpholin-4-ylphenyl)ethylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[(E)-1-(4-morpholin-4-ylphenyl)ethylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(E)-1-(4-morpholinophenyl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(E)-1-[4-(4-morpholinyl)phenyl]ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(E)-1-(4-morpholin-4-ylphenyl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[(E)-1-(4-morpholinophenyl)ethylideneamino]-3H-phthalazine-1-carboxamide Formula: C21H21N5O3 MolecularWeight: 391.42314

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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)N4CCOCC4

Isomeric SMILES

C/C(=N\NC(=O)C1=NNC(=O)C2=CC=CC=C21)/C3=CC=C(C=C3)N4CCOCC4

InChI

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