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

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]phthalazine-1-carboxamide Formula: C29H31N4O4+ MolecularWeight: 499.58084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)[NH+]5CCOCC5

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)[NH+]5CCOCC5

InChI

InChI=1S/C29H30N4O4/c1-36-23-13-11-22(12-14-23)26(32-15-17-37-18-16-32)19-30-28(34)27-24-9-5-6-10-25(24)29(35)33(31-27)20-21-7-3-2-4-8-21/h2-14,26H,15-20H2,1H3,(H,30,34)/p+1/t26-/m0/s1