ethyl 3-(4-fluorophenyl)carbonyl-1,1-dimethyl-8-(4-pyridin-2-ylpiperazin-1-yl)carbonyloxy-2,6-dihydroazepino[4,5-b]indole-5-carboxylate

Systemtic Name: ethyl 3-(4-fluorophenyl)carbonyl-1,1-dimethyl-8-(4-pyridin-2-ylpiperazin-1-yl)carbonyloxy-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Openeye Name: ethyl 3-(4-fluorobenzoyl)-1,1-dimethyl-8-[4-(2-pyridyl)piperazine-1-carbonyl]oxy-2,6-dihydroazepino[4,5-b]indole-5-carboxylate CAS Name: 3-[(4-fluorophenyl)-oxomethyl]-1,1-dimethyl-8-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methoxy]-2,6-dihydroazepino[4,5-b]indole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-fluorobenzoyl)-1,1-dimethyl-8-(4-pyridin-2-ylpiperazine-1-carbonyl)oxy-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Traditional Name: 3-(4-fluorobenzoyl)-1,1-dimethyl-8-[4-(2-pyridyl)piperazine-1-carbonyl]oxy-2,6-dihydroazepin[4,5-b]indole-5-carboxylic acid ethyl ester Formula: C34H34FN5O5 MolecularWeight: 611.662663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(CC(C2=C1NC3=C2C=CC(=C3)OC(=O)N4CCN(CC4)C5=CC=CC=N5)(C)C)C(=O)C6=CC=C(C=C6)F

Isomeric SMILES

CCOC(=O)C1=CN(CC(C2=C1NC3=C2C=CC(=C3)OC(=O)N4CCN(CC4)C5=CC=CC=N5)(C)C)C(=O)C6=CC=C(C=C6)F

InChI

InChI=1S/C34H34FN5O5/c1-4-44-32(42)26-20-40(31(41)22-8-10-23(35)11-9-22)21-34(2,3)29-25-13-12-24(19-27(25)37-30(26)29)45-33(43)39-17-15-38(16-18-39)28-7-5-6-14-36-28/h5-14,19-20,37H,4,15-18,21H2,1-3H3