N-(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)-5-cyclopropyl-2-phenyl-pyrazole-3-carboxamide

Systemtic Name: N-(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)-5-cyclopropyl-2-phenyl-pyrazole-3-carboxamide Openeye Name: N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-5-cyclopropyl-2-phenyl-pyrazole-3-carboxamide CAS Name: N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-5-cyclopropyl-2-phenyl-3-pyrazolecarboxamide IUPAC Name: N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-5-cyclopropyl-2-phenylpyrazole-3-carboxamide Traditional Name: N-(6-chloro-3-keto-4H-1,4-benzoxazin-7-yl)-5-cyclopropyl-2-phenyl-pyrazole-3-carboxamide Formula: C21H17ClN4O3 MolecularWeight: 408.83768

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=C2)C(=O)NC3=C(C=C4C(=C3)OCC(=O)N4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NN(C(=C2)C(=O)NC3=C(C=C4C(=C3)OCC(=O)N4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C21H17ClN4O3/c22-14-8-17-19(29-11-20(27)23-17)10-16(14)24-21(28)18-9-15(12-6-7-12)25-26(18)13-4-2-1-3-5-13/h1-5,8-10,12H,6-7,11H2,(H,23,27)(H,24,28)