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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(C)CC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(C)CC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C22H23FN4O3/c1-14(2)12-27-21(29)18-7-5-4-6-17(18)20(25-27)22(30)26(3)13-19(28)24-16-10-8-15(23)9-11-16/h4-11,14H,12-13H2,1-3H3,(H,24,28)