N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[4-(2-furylmethylcarbamoylamino)phenyl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[4-[[(2-furanylmethylamino)-oxomethyl]amino]phenyl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: N-[4-(2-furfurylcarbamoylamino)phenyl]-4-keto-3-phenyl-phthalazine-1-carboxamide Formula: C27H21N5O4 MolecularWeight: 479.48674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC=C(C=C4)NC(=O)NCC5=CC=CO5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC=C(C=C4)NC(=O)NCC5=CC=CO5

InChI

InChI=1S/C27H21N5O4/c33-25(29-18-12-14-19(15-13-18)30-27(35)28-17-21-9-6-16-36-21)24-22-10-4-5-11-23(22)26(34)32(31-24)20-7-2-1-3-8-20/h1-16H,17H2,(H,29,33)(H2,28,30,35)