[1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-chloranyladamantane-1-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-chloranyladamantane-1-carboxylate Openeye Name: [1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid [1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester IUPAC Name: [1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid [2-keto-1-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] ester Formula: C20H28ClN3O3 MolecularWeight: 393.90762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)C(C)OC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)C(C)OC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

InChI

InChI=1S/C20H28ClN3O3/c1-11-16(12(2)24(4)23-11)22-17(25)13(3)27-18(26)19-6-14-5-15(7-19)9-20(21,8-14)10-19/h13-15H,5-10H2,1-4H3,(H,22,25)