1-[4-[3-(2-methoxyphenyl)propanoylamino]cyclohexyl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[4-[3-(2-methoxyphenyl)propanoylamino]cyclohexyl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide Openeye Name: N-isopropyl-1-[4-[3-(2-methoxyphenyl)propanoylamino]cyclohexyl]triazole-4-carboxamide CAS Name: 1-[4-[[3-(2-methoxyphenyl)-1-oxopropyl]amino]cyclohexyl]-N-propan-2-yl-4-triazolecarboxamide IUPAC Name: 1-[4-[3-(2-methoxyphenyl)propanoylamino]cyclohexyl]-N-propan-2-yltriazole-4-carboxamide Traditional Name: N-isopropyl-1-[4-[3-(2-methoxyphenyl)propanoylamino]cyclohexyl]triazole-4-carboxamide Formula: C22H31N5O3 MolecularWeight: 413.51324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CN(N=N1)C2CCC(CC2)NC(=O)CCC3=CC=CC=C3OC

Isomeric SMILES

CC(C)NC(=O)C1=CN(N=N1)C2CCC(CC2)NC(=O)CCC3=CC=CC=C3OC

InChI

InChI=1S/C22H31N5O3/c1-15(2)23-22(29)19-14-27(26-25-19)18-11-9-17(10-12-18)24-21(28)13-8-16-6-4-5-7-20(16)30-3/h4-7,14-15,17-18H,8-13H2,1-3H3,(H,23,29)(H,24,28)