N-[(4-fluorophenyl)methyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-N-(4-fluorobenzyl)-4-keto-phthalazine-1-carboxamide Formula: C21H22FN3O2 MolecularWeight: 367.416683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FN3O2/c1-2-3-6-13-25-21(27)18-8-5-4-7-17(18)19(24-25)20(26)23-14-15-9-11-16(22)12-10-15/h4-5,7-12H,2-3,6,13-14H2,1H3,(H,23,26)