ethyl 9-acetamido-3-(4-fluorophenyl)carbonyl-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate

Systemtic Name: ethyl 9-acetamido-3-(4-fluorophenyl)carbonyl-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Openeye Name: ethyl 9-acetamido-3-(4-fluorobenzoyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate CAS Name: 9-acetamido-3-[(4-fluorophenyl)-oxomethyl]-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 9-acetamido-3-(4-fluorobenzoyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Traditional Name: 9-acetamido-3-(4-fluorobenzoyl)-1,1-dimethyl-2,6-dihydroazepin[4,5-b]indole-5-carboxylic acid ethyl ester Formula: C26H26FN3O4 MolecularWeight: 463.500743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(CC(C2=C1NC3=C2C=C(C=C3)NC(=O)C)(C)C)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=CN(CC(C2=C1NC3=C2C=C(C=C3)NC(=O)C)(C)C)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H26FN3O4/c1-5-34-25(33)20-13-30(24(32)16-6-8-17(27)9-7-16)14-26(3,4)22-19-12-18(28-15(2)31)10-11-21(19)29-23(20)22/h6-13,29H,5,14H2,1-4H3,(H,28,31)