methyl 3-[[4-[(5-fluoranyl-1H-indol-2-yl)carbonyl]-7-oxidanylidene-1,4-diazepan-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[[4-[(5-fluoranyl-1H-indol-2-yl)carbonyl]-7-oxidanylidene-1,4-diazepan-1-yl]methyl]benzoate Openeye Name: methyl 3-[[4-(5-fluoro-1H-indole-2-carbonyl)-7-oxo-1,4-diazepan-1-yl]methyl]benzoate CAS Name: 3-[[4-[(5-fluoro-1H-indol-2-yl)-oxomethyl]-7-oxo-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(5-fluoro-1H-indole-2-carbonyl)-7-oxo-1,4-diazepan-1-yl]methyl]benzoate Traditional Name: 3-[[4-(5-fluoro-1H-indole-2-carbonyl)-7-keto-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester Formula: C23H22FN3O4 MolecularWeight: 423.436883

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CN2CCN(CCC2=O)C(=O)C3=CC4=C(N3)C=CC(=C4)F

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CN2CCN(CCC2=O)C(=O)C3=CC4=C(N3)C=CC(=C4)F

InChI

InChI=1S/C23H22FN3O4/c1-31-23(30)16-4-2-3-15(11-16)14-27-10-9-26(8-7-21(27)28)22(29)20-13-17-12-18(24)5-6-19(17)25-20/h2-6,11-13,25H,7-10,14H2,1H3