4-(1,3-benzodioxol-4-ylmethyl)-6-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]-1,4-diazepan-2-one

Systemtic Name: 4-(1,3-benzodioxol-4-ylmethyl)-6-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]-1,4-diazepan-2-one Openeye Name: 4-(1,3-benzodioxol-4-ylmethyl)-6-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]-1,4-diazepan-2-one CAS Name: 4-(1,3-benzodioxol-4-ylmethyl)-6-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]-1,4-diazepan-2-one IUPAC Name: 4-(1,3-benzodioxol-4-ylmethyl)-6-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]-1,4-diazepan-2-one Traditional Name: 4-(1,3-benzodioxol-4-ylmethyl)-6-(cyclopropylmethoxy)-1-m-anisyl-1,4-diazepan-2-one Formula: C25H30N2O5 MolecularWeight: 438.5161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CC(CN(CC2=O)CC3=C4C(=CC=C3)OCO4)OCC5CC5

Isomeric SMILES

COC1=CC=CC(=C1)CN2CC(CN(CC2=O)CC3=C4C(=CC=C3)OCO4)OCC5CC5

InChI

InChI=1S/C25H30N2O5/c1-29-21-6-2-4-19(10-21)11-27-14-22(30-16-18-8-9-18)13-26(15-24(27)28)12-20-5-3-7-23-25(20)32-17-31-23/h2-7,10,18,22H,8-9,11-17H2,1H3