1-[4-(1,3-benzodioxol-5-ylcarbonylamino)cyclohexyl]-N,N-diethyl-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylcarbonylamino)cyclohexyl]-N,N-diethyl-1,2,3-triazole-4-carboxamide Openeye Name: 1-[4-(1,3-benzodioxole-5-carbonylamino)cyclohexyl]-N,N-diethyl-triazole-4-carboxamide CAS Name: 1-[4-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]cyclohexyl]-N,N-diethyl-4-triazolecarboxamide IUPAC Name: 1-[4-(1,3-benzodioxole-5-carbonylamino)cyclohexyl]-N,N-diethyltriazole-4-carboxamide Traditional Name: N,N-diethyl-1-[4-(piperonyloylamino)cyclohexyl]triazole-4-carboxamide Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CN(N=N1)C2CCC(CC2)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN(CC)C(=O)C1=CN(N=N1)C2CCC(CC2)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H27N5O4/c1-3-25(4-2)21(28)17-12-26(24-23-17)16-8-6-15(7-9-16)22-20(27)14-5-10-18-19(11-14)30-13-29-18/h5,10-12,15-16H,3-4,6-9,13H2,1-2H3,(H,22,27)