6-chloranyl-N-(3-pyrazol-1-ylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-(3-pyrazol-1-ylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-(3-pyrazol-1-ylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[3-(1-pyrazolyl)propyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-(3-pyrazol-1-ylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-(3-pyrazol-1-ylpropyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C16H18ClN3O3 MolecularWeight: 335.78542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN3O3/c17-13-10-12(11-14-15(13)23-9-3-8-22-14)16(21)18-4-1-6-20-7-2-5-19-20/h2,5,7,10-11H,1,3-4,6,8-9H2,(H,18,21)