N-[(3-acetamidophenyl)methyl]-6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: N-[(3-acetamidophenyl)methyl]-6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: N-[(3-acetamidophenyl)methyl]-6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: N-[(3-acetamidophenyl)methyl]-6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: N-[(3-acetamidophenyl)methyl]-6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: N-(3-acetamidobenzyl)-6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C19H19ClN2O4 MolecularWeight: 374.81816

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)CNC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)CNC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C19H19ClN2O4/c1-12(23)22-15-5-2-4-13(8-15)11-21-19(24)14-9-16(20)18-17(10-14)25-6-3-7-26-18/h2,4-5,8-10H,3,6-7,11H2,1H3,(H,21,24)(H,22,23)