5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole

Systemtic Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole Openeye Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole CAS Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole IUPAC Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole Traditional Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole Formula: C12H12N2O2 MolecularWeight: 216.23588

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C3=CC=NN3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C3=CC=NN3)OC1

InChI

InChI=1S/C12H12N2O2/c1-6-15-11-3-2-9(8-12(11)16-7-1)10-4-5-13-14-10/h2-5,8H,1,6-7H2,(H,13,14)