3-(1-adamantyl)-1-(3-bromophenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazole

Systemtic Name: 3-(1-adamantyl)-1-(3-bromophenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazole Openeye Name: 3-(1-adamantyl)-1-(3-bromophenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazole CAS Name: 3-(1-adamantyl)-1-(3-bromophenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazole IUPAC Name: 3-(1-adamantyl)-1-(3-bromophenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazole Traditional Name: 3-(1-adamantyl)-1-(3-bromophenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazole Formula: C21H24BrN3 MolecularWeight: 398.33936

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C2C1=C(NN2C3=CC(=CC=C3)Br)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN=C2C1=C(NN2C3=CC(=CC=C3)Br)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C21H24BrN3/c22-16-2-1-3-17(9-16)25-20-18(4-5-23-20)19(24-25)21-10-13-6-14(11-21)8-15(7-13)12-21/h1-3,9,13-15,24H,4-8,10-12H2