ethyl 3-(2-adamantylcarbamoyl)-1-(phenylmethyl)-4,5,6,7-tetrahydroindazole-5-carboxylate

Systemtic Name: ethyl 3-(2-adamantylcarbamoyl)-1-(phenylmethyl)-4,5,6,7-tetrahydroindazole-5-carboxylate Openeye Name: ethyl 3-(2-adamantylcarbamoyl)-1-benzyl-4,5,6,7-tetrahydroindazole-5-carboxylate CAS Name: 3-[(2-adamantylamino)-oxomethyl]-1-(phenylmethyl)-4,5,6,7-tetrahydroindazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-adamantylcarbamoyl)-1-benzyl-4,5,6,7-tetrahydroindazole-5-carboxylate Traditional Name: 3-(2-adamantylcarbamoyl)-1-benzyl-4,5,6,7-tetrahydroindazole-5-carboxylic acid ethyl ester Formula: C28H35N3O3 MolecularWeight: 461.5958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC2=C(C1)C(=NN2CC3=CC=CC=C3)C(=O)NC4C5CC6CC(C5)CC4C6

Isomeric SMILES

CCOC(=O)C1CCC2=C(C1)C(=NN2CC3=CC=CC=C3)C(=O)NC4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C28H35N3O3/c1-2-34-28(33)20-8-9-24-23(15-20)26(30-31(24)16-17-6-4-3-5-7-17)27(32)29-25-21-11-18-10-19(13-21)14-22(25)12-18/h3-7,18-22,25H,2,8-16H2,1H3,(H,29,32)