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

Systemtic Name: 3-(4-chlorophenyl)-N-[(2S)-3,3-dimethylbutan-2-yl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-(4-chlorophenyl)-4-oxo-N-[(1S)-1,2,2-trimethylpropyl]phthalazine-1-carboxamide CAS Name: 3-(4-chlorophenyl)-N-[(2S)-3,3-dimethylbutan-2-yl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-(4-chlorophenyl)-N-[(2S)-3,3-dimethylbutan-2-yl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-(4-chlorophenyl)-4-keto-N-[(1S)-1,2,2-trimethylpropyl]phthalazine-1-carboxamide Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C)C)NC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@@H](C(C)(C)C)NC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN3O2/c1-13(21(2,3)4)23-19(26)18-16-7-5-6-8-17(16)20(27)25(24-18)15-11-9-14(22)10-12-15/h5-13H,1-4H3,(H,23,26)/t13-/m0/s1