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

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(naphthalen-2-ylmethyl)azepan-2-one Openeye Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(2-naphthylmethyl)azepan-2-one CAS Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-(2-naphthalenylmethyl)-2-azepanone IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(naphthalen-2-ylmethyl)azepan-2-one Traditional Name: 1-(2-naphthylmethyl)-5-(4-piperonylpiperazino)azepan-2-one Formula: C29H33N3O3 MolecularWeight: 471.59062

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CCC1N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)CC5=CC6=CC=CC=C6C=C5

Isomeric SMILES

C1CC(=O)N(CCC1N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)CC5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C29H33N3O3/c33-29-10-8-26(11-12-32(29)20-22-5-7-24-3-1-2-4-25(24)17-22)31-15-13-30(14-16-31)19-23-6-9-27-28(18-23)35-21-34-27/h1-7,9,17-18,26H,8,10-16,19-21H2