(2S)-4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2S)-4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2S)-4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2S)-4-[[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2S)-4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2S)-4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C26H24N4O3 MolecularWeight: 440.49376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2CN3CC(OC4=CC=CC=C43)C(=O)N)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2CN3C[C@H](OC4=CC=CC=C43)C(=O)N)C5=CC=CC=C5

InChI

InChI=1S/C26H24N4O3/c1-32-21-13-11-18(12-14-21)25-19(16-30(28-25)20-7-3-2-4-8-20)15-29-17-24(26(27)31)33-23-10-6-5-9-22(23)29/h2-14,16,24H,15,17H2,1H3,(H2,27,31)/t24-/m0/s1