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

Systemtic Name: N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[(1R)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-3-phenyl-phthalazine-1-carboxamide Formula: C28H29N4O3+ MolecularWeight: 469.55486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[NH+]2CCOCC2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C[NH+]2CCOCC2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C28H28N4O3/c1-20-11-13-21(14-12-20)25(19-31-15-17-35-18-16-31)29-27(33)26-23-9-5-6-10-24(23)28(34)32(30-26)22-7-3-2-4-8-22/h2-14,25H,15-19H2,1H3,(H,29,33)/p+1/t25-/m0/s1