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

Systemtic Name: ethyl 3-(phenylmethyl)-2,5a,6,10b-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylate Openeye Name: ethyl 3-benzyl-2,5a,6,10b-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylate CAS Name: 3-(phenylmethyl)-2,5a,6,10b-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-2,5a,6,10b-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylate Traditional Name: 3-benzyl-2,5a,6,10b-tetrahydro-1H-azepin[4,5-b]indole-5-carboxylic acid ethyl ester Formula: C22H24N2O2 MolecularWeight: 348.43816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(CCC2C1NC3=CC=CC=C23)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN(CCC2C1NC3=CC=CC=C23)CC4=CC=CC=C4

InChI

InChI=1S/C22H24N2O2/c1-2-26-22(25)19-15-24(14-16-8-4-3-5-9-16)13-12-18-17-10-6-7-11-20(17)23-21(18)19/h3-11,15,18,21,23H,2,12-14H2,1H3