N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanamide

Systemtic Name: N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanamide Openeye Name: N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide CAS Name: N-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide IUPAC Name: N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide Traditional Name: N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-(3-keto-1,4-benzoxazin-4-yl)propionamide Formula: C27H23FN4O3 MolecularWeight: 470.494923

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=CC=CC=C2O1)CCC(=O)NCC3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5

Isomeric SMILES

C1C(=O)N(C2=CC=CC=C2O1)CCC(=O)NCC3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5

InChI

InChI=1S/C27H23FN4O3/c28-21-12-10-19(11-13-21)27-20(17-32(30-27)22-6-2-1-3-7-22)16-29-25(33)14-15-31-23-8-4-5-9-24(23)35-18-26(31)34/h1-13,17H,14-16,18H2,(H,29,33)