6-chloranyl-N-[3-(oxolan-2-ylmethoxy)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-[3-(oxolan-2-ylmethoxy)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-[3-(tetrahydrofuran-2-ylmethoxy)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[3-(2-oxolanylmethoxy)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-[3-(oxolan-2-ylmethoxy)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-[3-(tetrahydrofurfuryloxy)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C21H22ClNO5 MolecularWeight: 403.85608

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)COC2=CC=CC(=C2)NC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

C1CC(OC1)COC2=CC=CC(=C2)NC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C21H22ClNO5/c22-18-10-14(11-19-20(18)27-9-3-8-26-19)21(24)23-15-4-1-5-16(12-15)28-13-17-6-2-7-25-17/h1,4-5,10-12,17H,2-3,6-9,13H2,(H,23,24)