3-methyl-4-oxidanylidene-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-phthalazine-1-carboxamide

Systemtic Name: 3-methyl-4-oxidanylidene-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-phthalazine-1-carboxamide Openeye Name: 3-methyl-4-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-phthalazine-1-carboxamide CAS Name: 3-methyl-4-oxo-N-(5-spiro[1,3-benzodioxole-2,1'-cyclohexane]yl)-1-phthalazinecarboxamide IUPAC Name: 3-methyl-4-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylphthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-phthalazine-1-carboxamide Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)OC5(O4)CCCCC5

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)OC5(O4)CCCCC5

InChI

InChI=1S/C22H21N3O4/c1-25-21(27)16-8-4-3-7-15(16)19(24-25)20(26)23-14-9-10-17-18(13-14)29-22(28-17)11-5-2-6-12-22/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,23,26)