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

Systemtic Name: N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-4-(1,2,4-triazol-1-ylmethyl)benzamide Openeye Name: N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-4-(1,2,4-triazol-1-ylmethyl)benzamide CAS Name: N-(5-spiro[1,3-benzodioxole-2,1'-cyclohexane]yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide IUPAC Name: N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-4-(1,2,4-triazol-1-ylmethyl)benzamide Traditional Name: N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-4-(1,2,4-triazol-1-ylmethyl)benzamide Formula: C22H22N4O3 MolecularWeight: 390.43508

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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)CN5C=NC=N5

Isomeric SMILES

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)CN5C=NC=N5

InChI

InChI=1S/C22H22N4O3/c27-21(17-6-4-16(5-7-17)13-26-15-23-14-24-26)25-18-8-9-19-20(12-18)29-22(28-19)10-2-1-3-11-22/h4-9,12,14-15H,1-3,10-11,13H2,(H,25,27)