4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-1-phenyl-pyrazole

Systemtic Name: 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-1-phenyl-pyrazole Openeye Name: 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-1-phenyl-pyrazole CAS Name: 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]methyl]-1-phenylpyrazole IUPAC Name: 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-1-phenylpyrazole Traditional Name: 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]methyl]-1-phenyl-pyrazole Formula: C22H23N3O2 MolecularWeight: 361.43692

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC2=CN(N=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CC(N(C1)CC2=CN(N=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C22H23N3O2/c1-2-5-19(6-3-1)25-16-17(14-23-25)15-24-10-4-7-20(24)18-8-9-21-22(13-18)27-12-11-26-21/h1-3,5-6,8-9,13-14,16,20H,4,7,10-12,15H2