ethyl 3-(1,3-benzodioxol-5-ylcarbonyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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