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

Systemtic Name: N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]phthalazine-1-carboxamide Formula: C28H29N4O3+ MolecularWeight: 469.55486

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(C2=CC=CC=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1COCC[NH+]1C[C@H](C2=CC=CC=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C28H28N4O3/c33-27(29-25(22-11-5-2-6-12-22)20-31-15-17-35-18-16-31)26-23-13-7-8-14-24(23)28(34)32(30-26)19-21-9-3-1-4-10-21/h1-14,25H,15-20H2,(H,29,33)/p+1/t25-/m1/s1