N-[(4-fluorophenyl)-thiophen-2-yl-methyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: N-[(4-fluorophenyl)-thiophen-2-yl-methyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[(4-fluorophenyl)-(2-thienyl)methyl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: N-[(4-fluorophenyl)-(2-thienyl)methyl]-4-keto-3-phenyl-phthalazine-1-carboxamide Formula: C26H18FN3O2S MolecularWeight: 455.503423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC(C4=CC=C(C=C4)F)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC(C4=CC=C(C=C4)F)C5=CC=CS5

InChI

InChI=1S/C26H18FN3O2S/c27-18-14-12-17(13-15-18)23(22-11-6-16-33-22)28-25(31)24-20-9-4-5-10-21(20)26(32)30(29-24)19-7-2-1-3-8-19/h1-16,23H,(H,28,31)