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

Systemtic Name: N-[2-(phenethylcarbamoyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[2-(phenethylcarbamoyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[2-[oxo-(phenethylamino)methyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[2-(phenethylcarbamoyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[2-(phenethylcarbamoyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C25H24N2O4 MolecularWeight: 416.46906

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)NCCC4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)NCCC4=CC=CC=C4)OC1

InChI

InChI=1S/C25H24N2O4/c28-24(19-11-12-22-23(17-19)31-16-6-15-30-22)27-21-10-5-4-9-20(21)25(29)26-14-13-18-7-2-1-3-8-18/h1-5,7-12,17H,6,13-16H2,(H,26,29)(H,27,28)