N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-methyl-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-methyl-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[(2-chloro-6-fluoro-phenyl)methyl]-N-methyl-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-N-(2-chloro-6-fluoro-benzyl)-4-keto-N-methyl-phthalazine-1-carboxamide Formula: C22H23ClFN3O2 MolecularWeight: 415.888323

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(C)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(C)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C22H23ClFN3O2/c1-3-4-7-13-27-21(28)16-10-6-5-9-15(16)20(25-27)22(29)26(2)14-17-18(23)11-8-12-19(17)24/h5-6,8-12H,3-4,7,13-14H2,1-2H3