methyl 2-[[1-(2-bromophenyl)-1,2,3-triazol-4-yl]carbonylamino]-5-morpholin-4-yl-benzoate

Systemtic Name: methyl 2-[[1-(2-bromophenyl)-1,2,3-triazol-4-yl]carbonylamino]-5-morpholin-4-yl-benzoate Openeye Name: methyl 2-[[1-(2-bromophenyl)triazole-4-carbonyl]amino]-5-morpholino-benzoate CAS Name: 2-[[[1-(2-bromophenyl)-4-triazolyl]-oxomethyl]amino]-5-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 2-[[1-(2-bromophenyl)triazole-4-carbonyl]amino]-5-morpholin-4-ylbenzoate Traditional Name: 2-[[1-(2-bromophenyl)triazole-4-carbonyl]amino]-5-morpholino-benzoic acid methyl ester Formula: C21H20BrN5O4 MolecularWeight: 486.3186

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)N2CCOCC2)NC(=O)C3=CN(N=N3)C4=CC=CC=C4Br

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)N2CCOCC2)NC(=O)C3=CN(N=N3)C4=CC=CC=C4Br

InChI

InChI=1S/C21H20BrN5O4/c1-30-21(29)15-12-14(26-8-10-31-11-9-26)6-7-17(15)23-20(28)18-13-27(25-24-18)19-5-3-2-4-16(19)22/h2-7,12-13H,8-11H2,1H3,(H,23,28)