4-(benzotriazol-1-ylmethyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-benzamide

Systemtic Name: 4-(benzotriazol-1-ylmethyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-benzamide Openeye Name: 4-(benzotriazol-1-ylmethyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-benzamide CAS Name: 4-(1-benzotriazolylmethyl)-N-(5-spiro[1,3-benzodioxole-2,1'-cyclopentane]yl)benzamide IUPAC Name: 4-(benzotriazol-1-ylmethyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide Traditional Name: 4-(benzotriazol-1-ylmethyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-benzamide Formula: C25H22N4O3 MolecularWeight: 426.46718

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)OC3=C(O2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)CN5C6=CC=CC=C6N=N5

Isomeric SMILES

C1CCC2(C1)OC3=C(O2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)CN5C6=CC=CC=C6N=N5

InChI

InChI=1S/C25H22N4O3/c30-24(26-19-11-12-22-23(15-19)32-25(31-22)13-3-4-14-25)18-9-7-17(8-10-18)16-29-21-6-2-1-5-20(21)27-28-29/h1-2,5-12,15H,3-4,13-14,16H2,(H,26,30)