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

Systemtic Name: N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-4-(1,2,4-triazol-1-ylmethyl)benzamide Openeye Name: N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-4-(1,2,4-triazol-1-ylmethyl)benzamide CAS Name: N-(5-spiro[1,3-benzodioxole-2,1'-cyclopentane]yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide IUPAC Name: N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-4-(1,2,4-triazol-1-ylmethyl)benzamide Traditional Name: N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-4-(1,2,4-triazol-1-ylmethyl)benzamide Formula: C21H20N4O3 MolecularWeight: 376.4085

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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)CN5C=NC=N5

Isomeric SMILES

C1CCC2(C1)OC3=C(O2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)CN5C=NC=N5

InChI

InChI=1S/C21H20N4O3/c26-20(16-5-3-15(4-6-16)12-25-14-22-13-23-25)24-17-7-8-18-19(11-17)28-21(27-18)9-1-2-10-21/h3-8,11,13-14H,1-2,9-10,12H2,(H,24,26)