3-oxidanylidene-N-[2-(1-phenylpyrazol-4-yl)ethyl]-4H-1,4-benzoxazine-6-carboxamide

Systemtic Name: 3-oxidanylidene-N-[2-(1-phenylpyrazol-4-yl)ethyl]-4H-1,4-benzoxazine-6-carboxamide Openeye Name: 3-oxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]-4H-1,4-benzoxazine-6-carboxamide CAS Name: 3-oxo-N-[2-(1-phenyl-4-pyrazolyl)ethyl]-4H-1,4-benzoxazine-6-carboxamide IUPAC Name: 3-oxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]-4H-1,4-benzoxazine-6-carboxamide Traditional Name: 3-keto-N-[2-(1-phenylpyrazol-4-yl)ethyl]-4H-1,4-benzoxazine-6-carboxamide Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)NCCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)NCCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H18N4O3/c25-19-13-27-18-7-6-15(10-17(18)23-19)20(26)21-9-8-14-11-22-24(12-14)16-4-2-1-3-5-16/h1-7,10-12H,8-9,13H2,(H,21,26)(H,23,25)