ethyl 4-[7-bromanyl-4-(morpholin-4-ylmethyl)-3-oxidanylidene-quinoxalin-2-yl]benzoate

Systemtic Name: ethyl 4-[7-bromanyl-4-(morpholin-4-ylmethyl)-3-oxidanylidene-quinoxalin-2-yl]benzoate Openeye Name: ethyl 4-[7-bromo-4-(morpholinomethyl)-3-oxo-quinoxalin-2-yl]benzoate CAS Name: 4-[7-bromo-4-(4-morpholinylmethyl)-3-oxo-2-quinoxalinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[7-bromo-4-(morpholin-4-ylmethyl)-3-oxoquinoxalin-2-yl]benzoate Traditional Name: 4-[7-bromo-3-keto-4-(morpholinomethyl)quinoxalin-2-yl]benzoic acid ethyl ester Formula: C22H22BrN3O4 MolecularWeight: 472.33178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)Br)N(C2=O)CN4CCOCC4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)Br)N(C2=O)CN4CCOCC4

InChI

InChI=1S/C22H22BrN3O4/c1-2-30-22(28)16-5-3-15(4-6-16)20-21(27)26(14-25-9-11-29-12-10-25)19-8-7-17(23)13-18(19)24-20/h3-8,13H,2,9-12,14H2,1H3