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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)N5C=NC=N5

Isomeric SMILES

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)N5C=NC=N5

InChI

InChI=1S/C21H20N4O3/c26-20(15-4-7-17(8-5-15)25-14-22-13-23-25)24-16-6-9-18-19(12-16)28-21(27-18)10-2-1-3-11-21/h4-9,12-14H,1-3,10-11H2,(H,24,26)