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

Systemtic Name: 6-chloranyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-(3-pyridylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-(3-pyridinylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-(3-pyridylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C16H15ClN2O3 MolecularWeight: 318.7549

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)NCC3=CN=CC=C3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)NCC3=CN=CC=C3)Cl)OC1

InChI

InChI=1S/C16H15ClN2O3/c17-13-7-12(8-14-15(13)22-6-2-5-21-14)16(20)19-10-11-3-1-4-18-9-11/h1,3-4,7-9H,2,5-6,10H2,(H,19,20)