(4-pyrrolidin-1-ylcarbonylphenyl)methyl 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate CAS Name: 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C26H26FN3O3 MolecularWeight: 447.501343

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NN2C3=CC=C(C=C3)F)C(=O)OCC4=CC=C(C=C4)C(=O)N5CCCC5

Isomeric SMILES

C1CCC2=C(C1)C(=NN2C3=CC=C(C=C3)F)C(=O)OCC4=CC=C(C=C4)C(=O)N5CCCC5

InChI

InChI=1S/C26H26FN3O3/c27-20-11-13-21(14-12-20)30-23-6-2-1-5-22(23)24(28-30)26(32)33-17-18-7-9-19(10-8-18)25(31)29-15-3-4-16-29/h7-14H,1-6,15-17H2