[1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate

Systemtic Name: [1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate Openeye Name: [2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 4-(pyrazol-1-ylmethyl)benzoate CAS Name: 4-(1-pyrazolylmethyl)benzoic acid [1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cycloheptylamino)-1-oxopropan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate Traditional Name: 4-(pyrazol-1-ylmethyl)benzoic acid [2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)OC(=O)C2=CC=C(C=C2)CN3C=CC=N3

Isomeric SMILES

CC(C(=O)NC1CCCCCC1)OC(=O)C2=CC=C(C=C2)CN3C=CC=N3

InChI

InChI=1S/C21H27N3O3/c1-16(20(25)23-19-7-4-2-3-5-8-19)27-21(26)18-11-9-17(10-12-18)15-24-14-6-13-22-24/h6,9-14,16,19H,2-5,7-8,15H2,1H3,(H,23,25)