4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methyl]-1-phenyl-pyrazole

Systemtic Name: 4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methyl]-1-phenyl-pyrazole Openeye Name: 4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methyl]-1-phenyl-pyrazole CAS Name: 4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]methyl]-1-phenylpyrazole IUPAC Name: 4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methyl]-1-phenylpyrazole Traditional Name: 4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]methyl]-1-phenyl-pyrazole Formula: C23H25N3O2 MolecularWeight: 375.4635

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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)OCCCO5

Isomeric SMILES

C1CC(N(C1)CC2=CN(N=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C23H25N3O2/c1-2-6-20(7-3-1)26-17-18(15-24-26)16-25-11-4-8-21(25)19-9-10-22-23(14-19)28-13-5-12-27-22/h1-3,6-7,9-10,14-15,17,21H,4-5,8,11-13,16H2