N-[2-(prop-2-enylcarbamoyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[2-(prop-2-enylcarbamoyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[2-(allylcarbamoyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[2-[oxo-(prop-2-enylamino)methyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[2-(prop-2-enylcarbamoyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[2-(allylcarbamoyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C=CCNC(=O)C1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H20N2O4/c1-2-10-21-20(24)15-6-3-4-7-16(15)22-19(23)14-8-9-17-18(13-14)26-12-5-11-25-17/h2-4,6-9,13H,1,5,10-12H2,(H,21,24)(H,22,23)