3-[(2S)-3-[(4-chlorophenyl)methoxy]-2-oxidanyl-propyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[(2S)-3-[(4-chlorophenyl)methoxy]-2-oxidanyl-propyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxy-propyl]-N-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]-N-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]-N-methyl-4-oxophthalazine-1-carboxamide Traditional Name: 3-[(2S)-3-(4-chlorobenzyl)oxy-2-hydroxy-propyl]-4-keto-N-methyl-phthalazine-1-carboxamide Formula: C20H20ClN3O4 MolecularWeight: 401.8435

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC(COCC3=CC=C(C=C3)Cl)O

Isomeric SMILES

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C[C@@H](COCC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C20H20ClN3O4/c1-22-19(26)18-16-4-2-3-5-17(16)20(27)24(23-18)10-15(25)12-28-11-13-6-8-14(21)9-7-13/h2-9,15,25H,10-12H2,1H3,(H,22,26)/t15-/m0/s1