ethyl 3-(4-fluorophenyl)carbonyl-1,1-dimethyl-8-[methyl-(phenylmethyl)carbamoyl]oxy-2,6-dihydroazepino[4,5-b]indole-5-carboxylate

Systemtic Name: ethyl 3-(4-fluorophenyl)carbonyl-1,1-dimethyl-8-[methyl-(phenylmethyl)carbamoyl]oxy-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Openeye Name: ethyl 8-[benzyl(methyl)carbamoyl]oxy-3-(4-fluorobenzoyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate CAS Name: 3-[(4-fluorophenyl)-oxomethyl]-1,1-dimethyl-8-[[methyl-(phenylmethyl)amino]-oxomethoxy]-2,6-dihydroazepino[4,5-b]indole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 8-[benzyl(methyl)carbamoyl]oxy-3-(4-fluorobenzoyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Traditional Name: 8-[benzyl(methyl)carbamoyl]oxy-3-(4-fluorobenzoyl)-1,1-dimethyl-2,6-dihydroazepin[4,5-b]indole-5-carboxylic acid ethyl ester Formula: C33H32FN3O5 MolecularWeight: 569.622683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(CC(C2=C1NC3=C2C=CC(=C3)OC(=O)N(C)CC4=CC=CC=C4)(C)C)C(=O)C5=CC=C(C=C5)F

Isomeric SMILES

CCOC(=O)C1=CN(CC(C2=C1NC3=C2C=CC(=C3)OC(=O)N(C)CC4=CC=CC=C4)(C)C)C(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C33H32FN3O5/c1-5-41-31(39)26-19-37(30(38)22-11-13-23(34)14-12-22)20-33(2,3)28-25-16-15-24(17-27(25)35-29(26)28)42-32(40)36(4)18-21-9-7-6-8-10-21/h6-17,19,35H,5,18,20H2,1-4H3