3-[[(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-amino]methyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[[(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-amino]methyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[[(3-fluoro-4-methoxy-phenyl)methyl-methyl-amino]methyl]-N-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-N-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-N-methyl-4-oxophthalazine-1-carboxamide Traditional Name: 3-[[(3-fluoro-4-methoxy-benzyl)-methyl-amino]methyl]-4-keto-N-methyl-phthalazine-1-carboxamide Formula: C20H21FN4O3 MolecularWeight: 384.404143

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CN(C)CC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CN(C)CC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C20H21FN4O3/c1-22-19(26)18-14-6-4-5-7-15(14)20(27)25(23-18)12-24(2)11-13-8-9-17(28-3)16(21)10-13/h4-10H,11-12H2,1-3H3,(H,22,26)