[2-oxidanylidene-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl] 4-(pyrazol-1-ylmethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl] 4-(pyrazol-1-ylmethyl)benzoate Openeye Name: [2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl] 4-(pyrazol-1-ylmethyl)benzoate CAS Name: 4-(1-pyrazolylmethyl)benzoic acid [2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl] ester IUPAC Name: [2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl] 4-(pyrazol-1-ylmethyl)benzoate Traditional Name: 4-(pyrazol-1-ylmethyl)benzoic acid [2-keto-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl] ester Formula: C27H23N3O4 MolecularWeight: 453.48922

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=CC=CC=C2O1)C(=O)COC(=O)C3=CC=C(C=C3)CN4C=CC=N4)C5=CC=CC=C5

Isomeric SMILES

C1[C@H](N(C2=CC=CC=C2O1)C(=O)COC(=O)C3=CC=C(C=C3)CN4C=CC=N4)C5=CC=CC=C5

InChI

InChI=1S/C27H23N3O4/c31-26(19-34-27(32)22-13-11-20(12-14-22)17-29-16-6-15-28-29)30-23-9-4-5-10-25(23)33-18-24(30)21-7-2-1-3-8-21/h1-16,24H,17-19H2/t24-/m0/s1