methyl 2-(2-chloranyl-6-fluoranyl-phenyl)-9-propanoyl-3H-phenanthro[9,10-d]imidazole-6-carboxylate

Systemtic Name: methyl 2-(2-chloranyl-6-fluoranyl-phenyl)-9-propanoyl-3H-phenanthro[9,10-d]imidazole-6-carboxylate Openeye Name: methyl 2-(2-chloro-6-fluoro-phenyl)-9-propanoyl-3H-phenanthro[9,10-d]imidazole-6-carboxylate CAS Name: 2-(2-chloro-6-fluorophenyl)-9-(1-oxopropyl)-3H-phenanthro[9,10-d]imidazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-chloro-6-fluorophenyl)-9-propanoyl-3H-phenanthro[9,10-d]imidazole-6-carboxylate Traditional Name: 2-(2-chloro-6-fluoro-phenyl)-9-propionyl-3H-phenanthr[9,10-d]imidazole-6-carboxylic acid methyl ester Formula: C26H18ClFN2O3 MolecularWeight: 460.884123

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC2=C(C=C1)C3=C(C4=C2C=C(C=C4)C(=O)OC)NC(=N3)C5=C(C=CC=C5Cl)F

Isomeric SMILES

CCC(=O)C1=CC2=C(C=C1)C3=C(C4=C2C=C(C=C4)C(=O)OC)NC(=N3)C5=C(C=CC=C5Cl)F

InChI

InChI=1S/C26H18ClFN2O3/c1-3-21(31)13-7-9-15-17(11-13)18-12-14(26(32)33-2)8-10-16(18)24-23(15)29-25(30-24)22-19(27)5-4-6-20(22)28/h4-12H,3H2,1-2H3,(H,29,30)