N-[5-[(2-chloranyl-3-methyl-phenyl)methyl]-1,3-thiazol-2-yl]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide

Systemtic Name: N-[5-[(2-chloranyl-3-methyl-phenyl)methyl]-1,3-thiazol-2-yl]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide Openeye Name: N-[5-[(2-chloro-3-methyl-phenyl)methyl]thiazol-2-yl]-3-isopropyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[5-[(2-chloro-3-methylphenyl)methyl]-2-thiazolyl]-4-oxo-3-propan-2-yl-1-phthalazinecarboxamide IUPAC Name: N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide Traditional Name: N-[5-(2-chloro-3-methyl-benzyl)thiazol-2-yl]-3-isopropyl-4-keto-phthalazine-1-carboxamide Formula: C23H21ClN4O2S MolecularWeight: 452.95644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)CC2=CN=C(S2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C(C)C)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)CC2=CN=C(S2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C(C)C)Cl

InChI

InChI=1S/C23H21ClN4O2S/c1-13(2)28-22(30)18-10-5-4-9-17(18)20(27-28)21(29)26-23-25-12-16(31-23)11-15-8-6-7-14(3)19(15)24/h4-10,12-13H,11H2,1-3H3,(H,25,26,29)