[2-(dimethylamino)-2-phenyl-butyl] 1-cyclohexyl-3-ethyl-indazole-5-carboxylate

Systemtic Name: [2-(dimethylamino)-2-phenyl-butyl] 1-cyclohexyl-3-ethyl-indazole-5-carboxylate Openeye Name: [2-(dimethylamino)-2-phenyl-butyl] 1-cyclohexyl-3-ethyl-indazole-5-carboxylate CAS Name: 1-cyclohexyl-3-ethyl-5-indazolecarboxylic acid [2-(dimethylamino)-2-phenylbutyl] ester IUPAC Name: [2-(dimethylamino)-2-phenylbutyl] 1-cyclohexyl-3-ethylindazole-5-carboxylate Traditional Name: 1-cyclohexyl-3-ethyl-indazole-5-carboxylic acid [2-(dimethylamino)-2-phenyl-butyl] ester Formula: C28H37N3O2 MolecularWeight: 447.61228

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C2=C1C=C(C=C2)C(=O)OCC(CC)(C3=CC=CC=C3)N(C)C)C4CCCCC4

Isomeric SMILES

CCC1=NN(C2=C1C=C(C=C2)C(=O)OCC(CC)(C3=CC=CC=C3)N(C)C)C4CCCCC4

InChI

InChI=1S/C28H37N3O2/c1-5-25-24-19-21(17-18-26(24)31(29-25)23-15-11-8-12-16-23)27(32)33-20-28(6-2,30(3)4)22-13-9-7-10-14-22/h7,9-10,13-14,17-19,23H,5-6,8,11-12,15-16,20H2,1-4H3