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

Systemtic Name: 3-[3-[(4-chlorophenyl)methoxy]-2-oxidanyl-propyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[3-[(4-chlorophenyl)methoxy]-2-hydroxy-propyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-[3-(4-chlorobenzyl)oxy-2-hydroxy-propyl]-4-keto-phthalazine-1-carboxamide Formula: C19H18ClN3O4 MolecularWeight: 387.81692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(COCC3=CC=C(C=C3)Cl)O)C(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(COCC3=CC=C(C=C3)Cl)O)C(=O)N

InChI

InChI=1S/C19H18ClN3O4/c20-13-7-5-12(6-8-13)10-27-11-14(24)9-23-19(26)16-4-2-1-3-15(16)17(22-23)18(21)25/h1-8,14,24H,9-11H2,(H2,21,25)