methyl 1-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]carbonylamino]cycloheptane-1-carboxylate

Systemtic Name: methyl 1-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]carbonylamino]cycloheptane-1-carboxylate Openeye Name: methyl 1-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]cycloheptanecarboxylate CAS Name: 1-[[[4-(3,5-dimethyl-1-pyrazolyl)phenyl]-oxomethyl]amino]-1-cycloheptanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]cycloheptane-1-carboxylate Traditional Name: 1-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]cycloheptanecarboxylic acid methyl ester Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NC3(CCCCCC3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NC3(CCCCCC3)C(=O)OC)C

InChI

InChI=1S/C21H27N3O3/c1-15-14-16(2)24(23-15)18-10-8-17(9-11-18)19(25)22-21(20(26)27-3)12-6-4-5-7-13-21/h8-11,14H,4-7,12-13H2,1-3H3,(H,22,25)