1-(4-bromophenyl)-7a-pyrrolidin-1-yl-4,5,6,7-tetrahydro-3aH-indazole-3-carboxylic acid

Systemtic Name: 1-(4-bromophenyl)-7a-pyrrolidin-1-yl-4,5,6,7-tetrahydro-3aH-indazole-3-carboxylic acid Openeye Name: 1-(4-bromophenyl)-7a-pyrrolidin-1-yl-4,5,6,7-tetrahydro-3aH-indazole-3-carboxylic acid CAS Name: 1-(4-bromophenyl)-7a-(1-pyrrolidinyl)-4,5,6,7-tetrahydro-3aH-indazole-3-carboxylic acid IUPAC Name: 1-(4-bromophenyl)-7a-pyrrolidin-1-yl-4,5,6,7-tetrahydro-3aH-indazole-3-carboxylic acid Traditional Name: 1-(4-bromophenyl)-7a-pyrrolidino-4,5,6,7-tetrahydro-3aH-indazole-3-carboxylic acid Formula: C18H22BrN3O2 MolecularWeight: 392.29018

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C(C1)C(=NN2C3=CC=C(C=C3)Br)C(=O)O)N4CCCC4

Isomeric SMILES

C1CCC2(C(C1)C(=NN2C3=CC=C(C=C3)Br)C(=O)O)N4CCCC4

InChI

InChI=1S/C18H22BrN3O2/c19-13-6-8-14(9-7-13)22-18(21-11-3-4-12-21)10-2-1-5-15(18)16(20-22)17(23)24/h6-9,15H,1-5,10-12H2,(H,23,24)