ethyl 1-ethyl-3-(4-methoxyphenyl)carbonyl-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-3-(4-methoxyphenyl)carbonyl-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylate Openeye Name: ethyl 1-ethyl-3-(4-methoxybenzoyl)-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylate CAS Name: 1-ethyl-3-[(4-methoxyphenyl)-oxomethyl]-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-3-(4-methoxybenzoyl)-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylate Traditional Name: 1-ethyl-3-p-anisoyl-2,6-dihydro-1H-azepin[4,5-b]indole-5-carboxylic acid ethyl ester Formula: C25H26N2O4 MolecularWeight: 418.48494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(C=C(C2=C1C3=CC=CC=C3N2)C(=O)OCC)C(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CCC1CN(C=C(C2=C1C3=CC=CC=C3N2)C(=O)OCC)C(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H26N2O4/c1-4-16-14-27(24(28)17-10-12-18(30-3)13-11-17)15-20(25(29)31-5-2)23-22(16)19-8-6-7-9-21(19)26-23/h6-13,15-16,26H,4-5,14H2,1-3H3