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

Systemtic Name: 5-azanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-4-carboxamide Openeye Name: 5-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-4-carboxamide CAS Name: 5-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-4-carboxamide IUPAC Name: 5-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-4-carboxamide Traditional Name: 5-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-4-carboxamide Formula: C13H14N4O3 MolecularWeight: 274.27526

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3=C(NN=C3)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3=C(NN=C3)N)OC1

InChI

InChI=1S/C13H14N4O3/c14-12-9(7-15-17-12)13(18)16-8-2-3-10-11(6-8)20-5-1-4-19-10/h2-3,6-7H,1,4-5H2,(H,16,18)(H3,14,15,17)