N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(2R)-2-(4-fluorophenyl)-2-(4-morpholin-4-iumyl)ethyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C28H28FN4O3+ MolecularWeight: 487.545323

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)C5=CC=C(C=C5)F

Isomeric SMILES

C1COCC[NH+]1[C@@H](CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H27FN4O3/c29-22-12-10-21(11-13-22)25(32-14-16-36-17-15-32)18-30-27(34)26-23-8-4-5-9-24(23)28(35)33(31-26)19-20-6-2-1-3-7-20/h1-13,25H,14-19H2,(H,30,34)/p+1/t25-/m0/s1