ethyl 8-(furan-3-yl)-1,1-dimethyl-3,6-dihydro-2H-azepino[4,5-b]indole-5-carboxylate

Systemtic Name: ethyl 8-(furan-3-yl)-1,1-dimethyl-3,6-dihydro-2H-azepino[4,5-b]indole-5-carboxylate Openeye Name: ethyl 8-(3-furyl)-1,1-dimethyl-3,6-dihydro-2H-azepino[4,5-b]indole-5-carboxylate CAS Name: 8-(3-furanyl)-1,1-dimethyl-3,6-dihydro-2H-azepino[4,5-b]indole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 8-(furan-3-yl)-1,1-dimethyl-3,6-dihydro-2H-azepino[4,5-b]indole-5-carboxylate Traditional Name: 8-(3-furyl)-1,1-dimethyl-3,6-dihydro-2H-azepin[4,5-b]indole-5-carboxylic acid ethyl ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNCC(C2=C1NC3=C2C=CC(=C3)C4=COC=C4)(C)C

Isomeric SMILES

CCOC(=O)C1=CNCC(C2=C1NC3=C2C=CC(=C3)C4=COC=C4)(C)C

InChI

InChI=1S/C21H22N2O3/c1-4-26-20(24)16-10-22-12-21(2,3)18-15-6-5-13(14-7-8-25-11-14)9-17(15)23-19(16)18/h5-11,22-23H,4,12H2,1-3H3