(E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(4-phenyl-1-piperazinyl)-2-propen-1-one IUPAC Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(4-phenylpiperazino)prop-2-en-1-one Formula: C22H23ClN2O3 MolecularWeight: 398.88262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C=CC(=O)N3CCN(CC3)C4=CC=CC=C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)/C=C/C(=O)N3CCN(CC3)C4=CC=CC=C4)Cl)OC1

InChI

InChI=1S/C22H23ClN2O3/c23-19-15-17(16-20-22(19)28-14-4-13-27-20)7-8-21(26)25-11-9-24(10-12-25)18-5-2-1-3-6-18/h1-3,5-8,15-16H,4,9-14H2/b8-7+