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

Systemtic Name: 4-[2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]ethanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-[2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]acetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-[2-[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]-1-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-[2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]acetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C27H23ClN4O3 MolecularWeight: 486.94952

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CN(C2=CC=CC=C2O1)C(=O)CC3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

CNC(=O)C1CN(C2=CC=CC=C2O1)C(=O)CC3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C27H23ClN4O3/c1-29-27(34)24-17-31(22-9-5-6-10-23(22)35-24)25(33)15-19-16-32(21-7-3-2-4-8-21)30-26(19)18-11-13-20(28)14-12-18/h2-14,16,24H,15,17H2,1H3,(H,29,34)