ethyl 3-(1,3-benzodioxol-5-ylcarbonyl)-1-methyl-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylate

Systemtic Name: ethyl 3-(1,3-benzodioxol-5-ylcarbonyl)-1-methyl-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylate Openeye Name: ethyl 3-(1,3-benzodioxole-5-carbonyl)-1-methyl-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylate CAS Name: 3-[1,3-benzodioxol-5-yl(oxo)methyl]-1-methyl-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzodioxole-5-carbonyl)-1-methyl-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylate Traditional Name: 1-methyl-3-piperonyloyl-2,6-dihydro-1H-azepin[4,5-b]indole-5-carboxylic acid ethyl ester Formula: C24H22N2O5 MolecularWeight: 418.44188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(CC(C2=C1NC3=CC=CC=C32)C)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)C1=CN(CC(C2=C1NC3=CC=CC=C32)C)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H22N2O5/c1-3-29-24(28)17-12-26(23(27)15-8-9-19-20(10-15)31-13-30-19)11-14(2)21-16-6-4-5-7-18(16)25-22(17)21/h4-10,12,14,25H,3,11,13H2,1-2H3