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

Systemtic Name: 3-(1-adamantyl)-1-(4-phenylmethoxyphenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazole Openeye Name: 3-(1-adamantyl)-1-(4-benzyloxyphenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazole CAS Name: 3-(1-adamantyl)-1-(4-phenylmethoxyphenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazole IUPAC Name: 3-(1-adamantyl)-1-(4-phenylmethoxyphenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazole Traditional Name: 3-(1-adamantyl)-1-(4-benzoxyphenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazole Formula: C28H31N3O MolecularWeight: 425.56524

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C2C1=C(NN2C3=CC=C(C=C3)OCC4=CC=CC=C4)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1CN=C2C1=C(NN2C3=CC=C(C=C3)OCC4=CC=CC=C4)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C28H31N3O/c1-2-4-19(5-3-1)18-32-24-8-6-23(7-9-24)31-27-25(10-11-29-27)26(30-31)28-15-20-12-21(16-28)14-22(13-20)17-28/h1-9,20-22,30H,10-18H2