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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)NCCCN3C=CC=N3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)NCCCN3C=CC=N3)OC1

InChI

InChI=1S/C16H19N3O3/c20-16(17-6-1-8-19-9-2-7-18-19)13-4-5-14-15(12-13)22-11-3-10-21-14/h2,4-5,7,9,12H,1,3,6,8,10-11H2,(H,17,20)