[2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 1-cyclohexyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 1-cyclohexyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [2-[(2-isopropylpyrazol-3-yl)amino]-2-oxo-ethyl] 1-cyclohexyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-cyclohexyl-2,5-dimethyl-3-pyrrolecarboxylic acid [2-oxo-2-[(2-propan-2-yl-3-pyrazolyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 1-cyclohexyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-cyclohexyl-2,5-dimethyl-pyrrole-3-carboxylic acid [2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C21H30N4O3 MolecularWeight: 386.4879

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CCCCC2)C)C(=O)OCC(=O)NC3=CC=NN3C(C)C

Isomeric SMILES

CC1=CC(=C(N1C2CCCCC2)C)C(=O)OCC(=O)NC3=CC=NN3C(C)C

InChI

InChI=1S/C21H30N4O3/c1-14(2)25-19(10-11-22-25)23-20(26)13-28-21(27)18-12-15(3)24(16(18)4)17-8-6-5-7-9-17/h10-12,14,17H,5-9,13H2,1-4H3,(H,23,26)