N-[(E)-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]phthalazin-1-amine

Systemtic Name: N-[(E)-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]phthalazin-1-amine Openeye Name: N-[(E)-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]phthalazin-1-amine CAS Name: N-[(E)-[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]methylideneamino]-1-phthalazinamine IUPAC Name: N-[(E)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]phthalazin-1-amine Traditional Name: [(E)-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]-phthalazin-1-yl-amine Formula: C26H18N6O MolecularWeight: 430.46072

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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=NNC5=NN=CC6=CC=CC=C65

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)/C=N/NC5=NN=CC6=CC=CC=C65

InChI

InChI=1S/C26H18N6O/c1-2-10-21(11-3-1)32-17-20(25(31-32)24-14-18-8-5-7-13-23(18)33-24)16-28-30-26-22-12-6-4-9-19(22)15-27-29-26/h1-17H,(H,29,30)/b28-16+