N-(1-pyrazol-1-ylpropan-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-(1-pyrazol-1-ylpropan-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-(1-methyl-2-pyrazol-1-yl-ethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[1-(1-pyrazolyl)propan-2-yl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-(1-pyrazol-1-ylpropan-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-(1-methyl-2-pyrazol-1-yl-ethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=CC=N1)NC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(CN1C=CC=N1)NC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C16H19N3O3/c1-12(11-19-7-2-6-17-19)18-16(20)13-4-5-14-15(10-13)22-9-3-8-21-14/h2,4-7,10,12H,3,8-9,11H2,1H3,(H,18,20)