N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[(E)-(2-morpholino-4-phenyl-thiazol-5-yl)methyleneamino]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(E)-[2-(4-morpholinyl)-4-phenyl-5-thiazolyl]methylideneamino]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[(E)-(2-morpholino-4-phenyl-thiazol-5-yl)methyleneamino]phthalazine-1-carboxamide Formula: C30H26N6O3S MolecularWeight: 550.63084

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=C(S2)C=NNC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1COCCN1C2=NC(=C(S2)/C=N/NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C30H26N6O3S/c37-28(27-23-13-7-8-14-24(23)29(38)36(34-27)20-21-9-3-1-4-10-21)33-31-19-25-26(22-11-5-2-6-12-22)32-30(40-25)35-15-17-39-18-16-35/h1-14,19H,15-18,20H2,(H,33,37)/b31-19+