(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(4-phenylpiperazin-1-yl)methanone Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(4-phenylpiperazin-1-yl)methanone CAS Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(4-phenyl-1-piperazinyl)methanone IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(4-phenylpiperazin-1-yl)methanone Traditional Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(4-phenylpiperazino)methanone Formula: C20H21ClN2O3 MolecularWeight: 372.84534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O3/c21-17-13-15(14-18-19(17)26-12-4-11-25-18)20(24)23-9-7-22(8-10-23)16-5-2-1-3-6-16/h1-3,5-6,13-14H,4,7-12H2