5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-[(2-chlorophenyl)methyl]azepan-2-one

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-[(2-chlorophenyl)methyl]azepan-2-one Openeye Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-[(2-chlorophenyl)methyl]azepan-2-one CAS Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-[(2-chlorophenyl)methyl]-2-azepanone IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-[(2-chlorophenyl)methyl]azepan-2-one Traditional Name: 1-(2-chlorobenzyl)-5-(4-piperonylpiperazino)azepan-2-one Formula: C25H30ClN3O3 MolecularWeight: 455.977

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CCC1N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5Cl

Isomeric SMILES

C1CC(=O)N(CCC1N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5Cl

InChI

InChI=1S/C25H30ClN3O3/c26-22-4-2-1-3-20(22)17-29-10-9-21(6-8-25(29)30)28-13-11-27(12-14-28)16-19-5-7-23-24(15-19)32-18-31-23/h1-5,7,15,21H,6,8-14,16-18H2