N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(3-methylbutyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(3-methylbutyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[4-(4-fluorophenyl)thiazol-2-yl]-3-isopentyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[4-(4-fluorophenyl)-2-thiazolyl]-3-(3-methylbutyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(3-methylbutyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-[4-(4-fluorophenyl)thiazol-2-yl]-3-isoamyl-4-keto-phthalazine-1-carboxamide Formula: C23H21FN4O2S MolecularWeight: 436.501843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H21FN4O2S/c1-14(2)11-12-28-22(30)18-6-4-3-5-17(18)20(27-28)21(29)26-23-25-19(13-31-23)15-7-9-16(24)10-8-15/h3-10,13-14H,11-12H2,1-2H3,(H,25,26,29)