N-[2-(2-chloranyl-6-fluoranyl-phenyl)-2-(dimethylamino)ethyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[2-(2-chloranyl-6-fluoranyl-phenyl)-2-(dimethylamino)ethyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[2-(2-chloro-6-fluoro-phenyl)-2-(dimethylamino)ethyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[2-(2-chloro-6-fluoro-phenyl)-2-(dimethylamino)ethyl]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C22H24ClFN4O2 MolecularWeight: 430.902963

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C3=C(C=CC=C3Cl)F)N(C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C3=C(C=CC=C3Cl)F)N(C)C

InChI

InChI=1S/C22H24ClFN4O2/c1-4-12-28-22(30)15-9-6-5-8-14(15)20(26-28)21(29)25-13-18(27(2)3)19-16(23)10-7-11-17(19)24/h5-11,18H,4,12-13H2,1-3H3,(H,25,29)