[(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate

Systemtic Name: [(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate Openeye Name: [(1R)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate CAS Name: 5-cyclopropyl-2-phenyl-3-pyrazolecarboxylic acid [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 5-cyclopropyl-2-phenylpyrazole-3-carboxylate Traditional Name: 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylic acid [(1R)-2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)OC(=O)C2=CC(=NN2C3=CC=CC=C3)C4CC4

Isomeric SMILES

C[C@H](C(=O)NC1CCCCCC1)OC(=O)C2=CC(=NN2C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C23H29N3O3/c1-16(22(27)24-18-9-5-2-3-6-10-18)29-23(28)21-15-20(17-13-14-17)25-26(21)19-11-7-4-8-12-19/h4,7-8,11-12,15-18H,2-3,5-6,9-10,13-14H2,1H3,(H,24,27)/t16-/m1/s1