methyl 3-(2-morpholin-4-ylethanoylamino)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylate

Systemtic Name: methyl 3-(2-morpholin-4-ylethanoylamino)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylate Openeye Name: methyl 3-[(2-morpholinoacetyl)amino]-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylate CAS Name: 3-[[2-(4-morpholinyl)-1-oxoethyl]amino]-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[(2-morpholin-4-ylacetyl)amino]-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylate Traditional Name: 3-[(2-morpholinoacetyl)amino]-2,4,5,6-tetrahydro-1H-azepin[4,5-b]indole-5-carboxylic acid methyl ester Formula: C20H26N4O4 MolecularWeight: 386.44484

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCC2=C1NC3=CC=CC=C23)NC(=O)CN4CCOCC4

Isomeric SMILES

COC(=O)C1CN(CCC2=C1NC3=CC=CC=C23)NC(=O)CN4CCOCC4

InChI

InChI=1S/C20H26N4O4/c1-27-20(26)16-12-24(22-18(25)13-23-8-10-28-11-9-23)7-6-15-14-4-2-3-5-17(14)21-19(15)16/h2-5,16,21H,6-13H2,1H3,(H,22,25)