2-morpholin-4-ylethyl 9-[(2-bromanyl-5-fluoranyl-phenyl)methyl]pyrido[3,4-b]indole-3-carboxylate

Systemtic Name: 2-morpholin-4-ylethyl 9-[(2-bromanyl-5-fluoranyl-phenyl)methyl]pyrido[3,4-b]indole-3-carboxylate Openeye Name: 2-morpholinoethyl 9-[(2-bromo-5-fluoro-phenyl)methyl]pyrido[3,4-b]indole-3-carboxylate CAS Name: 9-[(2-bromo-5-fluorophenyl)methyl]-3-pyrido[3,4-b]indolecarboxylic acid 2-(4-morpholinyl)ethyl ester IUPAC Name: 2-morpholin-4-ylethyl 9-[(2-bromo-5-fluorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate Traditional Name: 9-(2-bromo-5-fluoro-benzyl)-$b-carboline-3-carboxylic acid 2-morpholinoethyl ester Formula: C25H23BrFN3O3 MolecularWeight: 512.370823

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCOC(=O)C2=NC=C3C(=C2)C4=CC=CC=C4N3CC5=C(C=CC(=C5)F)Br

Isomeric SMILES

C1COCCN1CCOC(=O)C2=NC=C3C(=C2)C4=CC=CC=C4N3CC5=C(C=CC(=C5)F)Br

InChI

InChI=1S/C25H23BrFN3O3/c26-21-6-5-18(27)13-17(21)16-30-23-4-2-1-3-19(23)20-14-22(28-15-24(20)30)25(31)33-12-9-29-7-10-32-11-8-29/h1-6,13-15H,7-12,16H2