4-ethanoyl-N-[(1-phenylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 4-ethanoyl-N-[(1-phenylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-acetyl-N-[(1-phenylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-acetyl-N-[(1-phenyl-4-pyrazolyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-acetyl-N-[(1-phenylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-acetyl-N-[(1-phenylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(OC2=CC=CC=C21)C(=O)NCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)N1CC(OC2=CC=CC=C21)C(=O)NCC3=CN(N=C3)C4=CC=CC=C4

InChI

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