N-methyl-2-[(2S)-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]ethanamide

Systemtic Name: N-methyl-2-[(2S)-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]ethanamide Openeye Name: N-methyl-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide CAS Name: N-methyl-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[(1-phenyl-4-pyrazolyl)methyl]acetamide IUPAC Name: N-methyl-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide Traditional Name: 2-[(2S)-3-keto-4H-1,4-benzoxazin-2-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)CC3C(=O)NC4=CC=CC=C4O3

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)C[C@H]3C(=O)NC4=CC=CC=C4O3

InChI

InChI=1S/C21H20N4O3/c1-24(13-15-12-22-25(14-15)16-7-3-2-4-8-16)20(26)11-19-21(27)23-17-9-5-6-10-18(17)28-19/h2-10,12,14,19H,11,13H2,1H3,(H,23,27)/t19-/m0/s1