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

Systemtic Name: ethyl 3-(4-methoxyphenyl)carbonyl-1-methyl-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylate Openeye Name: ethyl 3-(4-methoxybenzoyl)-1-methyl-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylate CAS Name: 3-[(4-methoxyphenyl)-oxomethyl]-1-methyl-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-methoxybenzoyl)-1-methyl-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylate Traditional Name: 1-methyl-3-p-anisoyl-2,6-dihydro-1H-azepin[4,5-b]indole-5-carboxylic acid ethyl ester Formula: C24H24N2O4 MolecularWeight: 404.45836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(CC(C2=C1NC3=CC=CC=C32)C)C(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)C1=CN(CC(C2=C1NC3=CC=CC=C32)C)C(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C24H24N2O4/c1-4-30-24(28)19-14-26(23(27)16-9-11-17(29-3)12-10-16)13-15(2)21-18-7-5-6-8-20(18)25-22(19)21/h5-12,14-15,25H,4,13H2,1-3H3