ethyl 1-[4-(1-adamantylcarbamoyl)phenyl]-3,5-dimethyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-(1-adamantylcarbamoyl)phenyl]-3,5-dimethyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-(1-adamantylcarbamoyl)phenyl]-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 1-[4-[(1-adamantylamino)-oxomethyl]phenyl]-3,5-dimethyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(1-adamantylcarbamoyl)phenyl]-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-[4-(1-adamantylcarbamoyl)phenyl]-3,5-dimethyl-pyrazole-4-carboxylic acid ethyl ester Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C25H31N3O3/c1-4-31-24(30)22-15(2)27-28(16(22)3)21-7-5-20(6-8-21)23(29)26-25-12-17-9-18(13-25)11-19(10-17)14-25/h5-8,17-19H,4,9-14H2,1-3H3,(H,26,29)