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

Systemtic Name: ethyl 1-[4-(1-adamantylmethylcarbamoyl)phenyl]-3,5-dimethyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-(1-adamantylmethylcarbamoyl)phenyl]-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 1-[4-[(1-adamantylmethylamino)-oxomethyl]phenyl]-3,5-dimethyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(1-adamantylmethylcarbamoyl)phenyl]-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-[4-(1-adamantylmethylcarbamoyl)phenyl]-3,5-dimethyl-pyrazole-4-carboxylic acid ethyl ester Formula: C26H33N3O3 MolecularWeight: 435.55852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)NCC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)NCC34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C26H33N3O3/c1-4-32-25(31)23-16(2)28-29(17(23)3)22-7-5-21(6-8-22)24(30)27-15-26-12-18-9-19(13-26)11-20(10-18)14-26/h5-8,18-20H,4,9-15H2,1-3H3,(H,27,30)