[4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperazin-1-yl]-phenyl-methanone

Systemtic Name: [4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperazin-1-yl]-phenyl-methanone Openeye Name: [4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperazin-1-yl]-phenyl-methanone CAS Name: [4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-piperazinyl]-phenylmethanone IUPAC Name: [4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperazin-1-yl]-phenylmethanone Traditional Name: [4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperazino]-phenyl-methanone Formula: C21H23ClN2O3 MolecularWeight: 386.87192

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CN3CCN(CC3)C(=O)C4=CC=CC=C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CN3CCN(CC3)C(=O)C4=CC=CC=C4)Cl)OC1

InChI

InChI=1S/C21H23ClN2O3/c22-18-13-16(14-19-20(18)27-12-4-11-26-19)15-23-7-9-24(10-8-23)21(25)17-5-2-1-3-6-17/h1-3,5-6,13-14H,4,7-12,15H2