4-oxidanylidene-3-phenyl-N-[[(2S)-4-(phenylmethyl)morpholin-4-ium-2-yl]methyl]phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-phenyl-N-[[(2S)-4-(phenylmethyl)morpholin-4-ium-2-yl]methyl]phthalazine-1-carboxamide Openeye Name: N-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: 4-oxo-3-phenyl-N-[[(2S)-4-(phenylmethyl)-2-morpholin-4-iumyl]methyl]-1-phthalazinecarboxamide IUPAC Name: N-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: N-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-4-keto-3-phenyl-phthalazine-1-carboxamide Formula: C27H27N4O3+ MolecularWeight: 455.52828

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C[NH+]1CC2=CC=CC=C2)CNC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CO[C@H](C[NH+]1CC2=CC=CC=C2)CNC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O3/c32-26(28-17-22-19-30(15-16-34-22)18-20-9-3-1-4-10-20)25-23-13-7-8-14-24(23)27(33)31(29-25)21-11-5-2-6-12-21/h1-14,22H,15-19H2,(H,28,32)/p+1/t22-/m0/s1