N-[(1R)-1-(3-fluoranyl-4-methoxy-phenyl)ethyl]-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(1R)-1-(3-fluoranyl-4-methoxy-phenyl)ethyl]-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(1R)-1-(3-fluoro-4-methoxy-phenyl)ethyl]-3-isobutyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-[(1R)-1-(3-fluoro-4-methoxy-phenyl)ethyl]-3-isobutyl-4-keto-phthalazine-1-carboxamide Formula: C22H24FN3O3 MolecularWeight: 397.442663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC(C)C3=CC(=C(C=C3)OC)F

Isomeric SMILES

C[C@H](C1=CC(=C(C=C1)OC)F)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC(C)C

InChI

InChI=1S/C22H24FN3O3/c1-13(2)12-26-22(28)17-8-6-5-7-16(17)20(25-26)21(27)24-14(3)15-9-10-19(29-4)18(23)11-15/h5-11,13-14H,12H2,1-4H3,(H,24,27)/t14-/m1/s1