[1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [2-(cyclopentylamino)-1-methyl-2-oxo-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [1-(cyclopentylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopentylamino)-1-oxopropan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-(cyclopentylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)OC(=O)C2=CC(=NN2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1CCCC1)OC(=O)C2=CC(=NN2)C3=CC=CC=C3

InChI

InChI=1S/C18H21N3O3/c1-12(17(22)19-14-9-5-6-10-14)24-18(23)16-11-15(20-21-16)13-7-3-2-4-8-13/h2-4,7-8,11-12,14H,5-6,9-10H2,1H3,(H,19,22)(H,20,21)