N-(5-bromanyl-2-morpholin-4-yl-phenyl)-4-methoxy-1-phenyl-pyrazole-3-carboxamide

Systemtic Name: N-(5-bromanyl-2-morpholin-4-yl-phenyl)-4-methoxy-1-phenyl-pyrazole-3-carboxamide Openeye Name: N-(5-bromo-2-morpholino-phenyl)-4-methoxy-1-phenyl-pyrazole-3-carboxamide CAS Name: N-[5-bromo-2-(4-morpholinyl)phenyl]-4-methoxy-1-phenyl-3-pyrazolecarboxamide IUPAC Name: N-(5-bromo-2-morpholin-4-ylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide Traditional Name: N-(5-bromo-2-morpholino-phenyl)-4-methoxy-1-phenyl-pyrazole-3-carboxamide Formula: C21H21BrN4O3 MolecularWeight: 457.32044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)NC2=C(C=CC(=C2)Br)N3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CN(N=C1C(=O)NC2=C(C=CC(=C2)Br)N3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C21H21BrN4O3/c1-28-19-14-26(16-5-3-2-4-6-16)24-20(19)21(27)23-17-13-15(22)7-8-18(17)25-9-11-29-12-10-25/h2-8,13-14H,9-12H2,1H3,(H,23,27)