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

Systemtic Name: N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[(E)-(4-morpholinophenyl)methyleneamino]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(E)-[4-(4-morpholinyl)phenyl]methylideneamino]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[(E)-(4-morpholinobenzylidene)amino]phthalazine-1-carboxamide Formula: C27H25N5O3 MolecularWeight: 467.5191

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)C=NNC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)/C=N/NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C27H25N5O3/c33-26(29-28-18-20-10-12-22(13-11-20)31-14-16-35-17-15-31)25-23-8-4-5-9-24(23)27(34)32(30-25)19-21-6-2-1-3-7-21/h1-13,18H,14-17,19H2,(H,29,33)/b28-18+