N-[(E)-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[(E)-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(E)-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(E)-[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(E)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[(E)-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]-4-keto-3H-phthalazine-1-carboxamide Formula: C27H18N6O3 MolecularWeight: 474.47022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C=NNC(=O)C5=NNC(=O)C6=CC=CC=C65

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)/C=N/NC(=O)C5=NNC(=O)C6=CC=CC=C65

InChI

InChI=1S/C27H18N6O3/c34-26-21-12-6-5-11-20(21)25(29-31-26)27(35)30-28-15-18-16-33(19-9-2-1-3-10-19)32-24(18)23-14-17-8-4-7-13-22(17)36-23/h1-16H,(H,30,35)(H,31,34)/b28-15+