3-butyl-N-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-butyl-N-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-[2-(3-fluoroanilino)-2-oxo-ethyl]-N-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-[2-(3-fluoroanilino)-2-keto-ethyl]-4-keto-N-methyl-phthalazine-1-carboxamide Formula: C22H23FN4O3 MolecularWeight: 410.441423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(C)CC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(C)CC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C22H23FN4O3/c1-3-4-12-27-21(29)18-11-6-5-10-17(18)20(25-27)22(30)26(2)14-19(28)24-16-9-7-8-15(23)13-16/h5-11,13H,3-4,12,14H2,1-2H3,(H,24,28)