(E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(diphenylmethyl)prop-2-enamide

Systemtic Name: (E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(diphenylmethyl)prop-2-enamide Openeye Name: (E)-N-benzhydryl-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enamide CAS Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(diphenylmethyl)-2-propenamide IUPAC Name: (E)-N-benzhydryl-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enamide Traditional Name: (E)-N-benzhydryl-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acrylamide Formula: C25H22ClNO3 MolecularWeight: 419.90008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C=CC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)/C=C/C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)Cl)OC1

InChI

InChI=1S/C25H22ClNO3/c26-21-16-18(17-22-25(21)30-15-7-14-29-22)12-13-23(28)27-24(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-13,16-17,24H,7,14-15H2,(H,27,28)/b13-12+