ethyl 3-(pyridin-2-ylmethyl)-2,5a,6,10b-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylate

Systemtic Name: ethyl 3-(pyridin-2-ylmethyl)-2,5a,6,10b-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylate Openeye Name: ethyl 3-(2-pyridylmethyl)-2,5a,6,10b-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylate CAS Name: 3-(2-pyridinylmethyl)-2,5a,6,10b-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(pyridin-2-ylmethyl)-2,5a,6,10b-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylate Traditional Name: 3-(2-pyridylmethyl)-2,5a,6,10b-tetrahydro-1H-azepin[4,5-b]indole-5-carboxylic acid ethyl ester Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(CCC2C1NC3=CC=CC=C23)CC4=CC=CC=N4

Isomeric SMILES

CCOC(=O)C1=CN(CCC2C1NC3=CC=CC=C23)CC4=CC=CC=N4

InChI

InChI=1S/C21H23N3O2/c1-2-26-21(25)18-14-24(13-15-7-5-6-11-22-15)12-10-17-16-8-3-4-9-19(16)23-20(17)18/h3-9,11,14,17,20,23H,2,10,12-13H2,1H3