4-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-6-methoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one

Systemtic Name: 4-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-6-methoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Openeye Name: 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-6-methoxy-1-(3-pyridylmethyl)-1,4-diazepan-2-one CAS Name: 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-6-methoxy-1-(3-pyridinylmethyl)-1,4-diazepan-2-one IUPAC Name: 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-6-methoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Traditional Name: 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-6-methoxy-1-(3-pyridylmethyl)-1,4-diazepan-2-one Formula: C20H22ClN3O4 MolecularWeight: 403.85938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CC(=O)N(C1)CC2=CN=CC=C2)CC3=CC4=C(C=C3Cl)OCO4

Isomeric SMILES

COC1CN(CC(=O)N(C1)CC2=CN=CC=C2)CC3=CC4=C(C=C3Cl)OCO4

InChI

InChI=1S/C20H22ClN3O4/c1-26-16-10-23(9-15-5-18-19(6-17(15)21)28-13-27-18)12-20(25)24(11-16)8-14-3-2-4-22-7-14/h2-7,16H,8-13H2,1H3