ethyl 5-[[1-(1-adamantyl)pyrazol-3-yl]carbamoyl]-2-methyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-[[1-(1-adamantyl)pyrazol-3-yl]carbamoyl]-2-methyl-pyrazole-3-carboxylate Openeye Name: ethyl 5-[[1-(1-adamantyl)pyrazol-3-yl]carbamoyl]-2-methyl-pyrazole-3-carboxylate CAS Name: 5-[[[1-(1-adamantyl)-3-pyrazolyl]amino]-oxomethyl]-2-methyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[1-(1-adamantyl)pyrazol-3-yl]carbamoyl]-2-methylpyrazole-3-carboxylate Traditional Name: 5-[[1-(1-adamantyl)pyrazol-3-yl]carbamoyl]-2-methyl-pyrazole-3-carboxylic acid ethyl ester Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1C)C(=O)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=CC(=NN1C)C(=O)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H27N5O3/c1-3-29-20(28)17-9-16(23-25(17)2)19(27)22-18-4-5-26(24-18)21-10-13-6-14(11-21)8-15(7-13)12-21/h4-5,9,13-15H,3,6-8,10-12H2,1-2H3,(H,22,24,27)