3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-propanamide

Systemtic Name: 3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-propanamide Openeye Name: 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-propanamide CAS Name: 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(5-spiro[1,3-benzodioxole-2,1'-cyclohexane]yl)propanamide IUPAC Name: 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide Traditional Name: 3-(4-keto-1,2,3-benzotriazin-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-propionamide Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)CCN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)CCN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C22H22N4O4/c27-20(10-13-26-21(28)16-6-2-3-7-17(16)24-25-26)23-15-8-9-18-19(14-15)30-22(29-18)11-4-1-5-12-22/h2-3,6-9,14H,1,4-5,10-13H2,(H,23,27)