methyl 1-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]cyclohexanecarboxylate CAS Name: 1-[[oxo-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)C2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)C2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C18H22N4O3/c1-25-17(24)18(9-3-2-4-10-18)21-16(23)15-7-5-14(6-8-15)11-22-13-19-12-20-22/h5-8,12-13H,2-4,9-11H2,1H3,(H,21,23)