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

Systemtic Name: ethyl 3-(1,3-benzodioxol-5-ylcarbonyl)-1-ethyl-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylate Openeye Name: ethyl 3-(1,3-benzodioxole-5-carbonyl)-1-ethyl-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylate CAS Name: 3-[1,3-benzodioxol-5-yl(oxo)methyl]-1-ethyl-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzodioxole-5-carbonyl)-1-ethyl-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylate Traditional Name: 1-ethyl-3-piperonyloyl-2,6-dihydro-1H-azepin[4,5-b]indole-5-carboxylic acid ethyl ester Formula: C25H24N2O5 MolecularWeight: 432.46846

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(C=C(C2=C1C3=CC=CC=C3N2)C(=O)OCC)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1CN(C=C(C2=C1C3=CC=CC=C3N2)C(=O)OCC)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H24N2O5/c1-3-15-12-27(24(28)16-9-10-20-21(11-16)32-14-31-20)13-18(25(29)30-4-2)23-22(15)17-7-5-6-8-19(17)26-23/h5-11,13,15,26H,3-4,12,14H2,1-2H3