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

Systemtic Name: N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[4-(2-chlorophenyl)thiazol-2-yl]-3-isobutyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[4-(2-chlorophenyl)-2-thiazolyl]-3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-[4-(2-chlorophenyl)thiazol-2-yl]-3-isobutyl-4-keto-phthalazine-1-carboxamide Formula: C22H19ClN4O2S MolecularWeight: 438.92986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=CC=CC=C4Cl

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H19ClN4O2S/c1-13(2)11-27-21(29)15-8-4-3-7-14(15)19(26-27)20(28)25-22-24-18(12-30-22)16-9-5-6-10-17(16)23/h3-10,12-13H,11H2,1-2H3,(H,24,25,28)