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

Systemtic Name: 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-[methyl(naphthalen-1-ylmethyl)amino]azepan-2-one Openeye Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[methyl(1-naphthylmethyl)amino]azepan-2-one CAS Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[methyl(1-naphthalenylmethyl)amino]-2-azepanone IUPAC Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[methyl(naphthalen-1-ylmethyl)amino]azepan-2-one Traditional Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[methyl(1-naphthylmethyl)amino]azepan-2-one Formula: C26H27ClN2O3 MolecularWeight: 450.95718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC2=CC=CC=C21)C3CCC(=O)N(CC3)CC4=CC5=C(C=C4Cl)OCO5

Isomeric SMILES

CN(CC1=CC=CC2=CC=CC=C21)C3CCC(=O)N(CC3)CC4=CC5=C(C=C4Cl)OCO5

InChI

InChI=1S/C26H27ClN2O3/c1-28(15-19-7-4-6-18-5-2-3-8-22(18)19)21-9-10-26(30)29(12-11-21)16-20-13-24-25(14-23(20)27)32-17-31-24/h2-8,13-14,21H,9-12,15-17H2,1H3