(E)-N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl]-3-phenyl-acrylamide Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CNC(=O)C=CC3=CC=CC=C3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CNC(=O)/C=C/C3=CC=CC=C3)OC1

InChI

InChI=1S/C20H20N2O4/c23-19(10-7-15-5-2-1-3-6-15)21-14-20(24)22-16-8-9-17-18(13-16)26-12-4-11-25-17/h1-3,5-10,13H,4,11-12,14H2,(H,21,23)(H,22,24)/b10-7+