1-[4-[2-(1,3-benzodioxol-5-yl)ethanoylamino]cyclohexyl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[4-[2-(1,3-benzodioxol-5-yl)ethanoylamino]cyclohexyl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide Openeye Name: 1-[4-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]cyclohexyl]-N-isopropyl-triazole-4-carboxamide CAS Name: 1-[4-[[2-(1,3-benzodioxol-5-yl)-1-oxoethyl]amino]cyclohexyl]-N-propan-2-yl-4-triazolecarboxamide IUPAC Name: 1-[4-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]cyclohexyl]-N-propan-2-yltriazole-4-carboxamide Traditional Name: 1-[4-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]cyclohexyl]-N-isopropyl-triazole-4-carboxamide Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CN(N=N1)C2CCC(CC2)NC(=O)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)NC(=O)C1=CN(N=N1)C2CCC(CC2)NC(=O)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H27N5O4/c1-13(2)22-21(28)17-11-26(25-24-17)16-6-4-15(5-7-16)23-20(27)10-14-3-8-18-19(9-14)30-12-29-18/h3,8-9,11,13,15-16H,4-7,10,12H2,1-2H3,(H,22,28)(H,23,27)