3-(4-oxidanylidenecinnolin-1-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-propanamide

Systemtic Name: 3-(4-oxidanylidenecinnolin-1-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-propanamide Openeye Name: 3-(4-oxocinnolin-1-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-propanamide CAS Name: 3-(4-oxo-1-cinnolinyl)-N-(5-spiro[1,3-benzodioxole-2,1'-cyclopentane]yl)propanamide IUPAC Name: 3-(4-oxocinnolin-1-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide Traditional Name: 3-(4-ketocinnolin-1-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-propionamide Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)OC3=C(O2)C=C(C=C3)NC(=O)CCN4C5=CC=CC=C5C(=O)C=N4

Isomeric SMILES

C1CCC2(C1)OC3=C(O2)C=C(C=C3)NC(=O)CCN4C5=CC=CC=C5C(=O)C=N4

InChI

InChI=1S/C22H21N3O4/c26-18-14-23-25(17-6-2-1-5-16(17)18)12-9-21(27)24-15-7-8-19-20(13-15)29-22(28-19)10-3-4-11-22/h1-2,5-8,13-14H,3-4,9-12H2,(H,24,27)