1-(2H-1,5-benzodioxepin-7-yl)-2-[4-(2-chlorophenyl)piperazin-1-yl]ethanone

Systemtic Name: 1-(2H-1,5-benzodioxepin-7-yl)-2-[4-(2-chlorophenyl)piperazin-1-yl]ethanone Openeye Name: 1-(2H-1,5-benzodioxepin-7-yl)-2-[4-(2-chlorophenyl)piperazin-1-yl]ethanone CAS Name: 1-(2H-1,5-benzodioxepin-7-yl)-2-[4-(2-chlorophenyl)-1-piperazinyl]ethanone IUPAC Name: 1-(2H-1,5-benzodioxepin-7-yl)-2-[4-(2-chlorophenyl)piperazin-1-yl]ethanone Traditional Name: 1-(2H-1,5-benzodioxepin-7-yl)-2-[4-(2-chlorophenyl)piperazino]ethanone Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)C2=CC3=C(C=C2)OCC=CO3)C4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CCN1CC(=O)C2=CC3=C(C=C2)OCC=CO3)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H21ClN2O3/c22-17-4-1-2-5-18(17)24-10-8-23(9-11-24)15-19(25)16-6-7-20-21(14-16)27-13-3-12-26-20/h1-7,13-14H,8-12,15H2