6-bromanyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-1,3-benzoxazol-2-one

Systemtic Name: 6-bromanyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-1,3-benzoxazol-2-one Openeye Name: 6-bromo-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-1,3-benzoxazol-2-one CAS Name: 6-bromo-3-[[methyl-[(1-phenyl-4-pyrazolyl)methyl]amino]methyl]-1,3-benzoxazol-2-one IUPAC Name: 6-bromo-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-1,3-benzoxazol-2-one Traditional Name: 6-bromo-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-1,3-benzoxazol-2-one Formula: C19H17BrN4O2 MolecularWeight: 413.26788

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)CN3C4=C(C=C(C=C4)Br)OC3=O

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)CN3C4=C(C=C(C=C4)Br)OC3=O

InChI

InChI=1S/C19H17BrN4O2/c1-22(11-14-10-21-24(12-14)16-5-3-2-4-6-16)13-23-17-8-7-15(20)9-18(17)26-19(23)25/h2-10,12H,11,13H2,1H3