4-(1,3-benzodioxol-5-ylcarbonyl)-6-methoxy-1-(phenylmethyl)-1,4-diazepan-2-one

Systemtic Name: 4-(1,3-benzodioxol-5-ylcarbonyl)-6-methoxy-1-(phenylmethyl)-1,4-diazepan-2-one Openeye Name: 4-(1,3-benzodioxole-5-carbonyl)-1-benzyl-6-methoxy-1,4-diazepan-2-one CAS Name: 4-[1,3-benzodioxol-5-yl(oxo)methyl]-6-methoxy-1-(phenylmethyl)-1,4-diazepan-2-one IUPAC Name: 4-(1,3-benzodioxole-5-carbonyl)-1-benzyl-6-methoxy-1,4-diazepan-2-one Traditional Name: 1-benzyl-6-methoxy-4-piperonyloyl-1,4-diazepan-2-one Formula: C21H22N2O5 MolecularWeight: 382.40978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CC(=O)N(C1)CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1CN(CC(=O)N(C1)CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N2O5/c1-26-17-11-22(10-15-5-3-2-4-6-15)20(24)13-23(12-17)21(25)16-7-8-18-19(9-16)28-14-27-18/h2-9,17H,10-14H2,1H3