1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-[methyl-(1-methylpiperidin-4-yl)amino]azepan-2-one

Systemtic Name: 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-[methyl-(1-methylpiperidin-4-yl)amino]azepan-2-one Openeye Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[methyl-(1-methyl-4-piperidyl)amino]azepan-2-one CAS Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[methyl-(1-methyl-4-piperidinyl)amino]-2-azepanone IUPAC Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[methyl-(1-methylpiperidin-4-yl)amino]azepan-2-one Traditional Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[methyl-(1-methyl-4-piperidyl)amino]azepan-2-one Formula: C21H30ClN3O3 MolecularWeight: 407.9342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(C)C2CCC(=O)N(CC2)CC3=CC4=C(C=C3Cl)OCO4

Isomeric SMILES

CN1CCC(CC1)N(C)C2CCC(=O)N(CC2)CC3=CC4=C(C=C3Cl)OCO4

InChI

InChI=1S/C21H30ClN3O3/c1-23-8-5-17(6-9-23)24(2)16-3-4-21(26)25(10-7-16)13-15-11-19-20(12-18(15)22)28-14-27-19/h11-12,16-17H,3-10,13-14H2,1-2H3