methyl 4-(4-pyrazol-1-ylphenyl)carbonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: methyl 4-(4-pyrazol-1-ylphenyl)carbonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: methyl 4-(4-pyrazol-1-ylbenzoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: 4-[oxo-[4-(1-pyrazolyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-pyrazol-1-ylbenzoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: 4-(4-pyrazol-1-ylbenzoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester Formula: C20H17N3O4 MolecularWeight: 363.36668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

COC(=O)C1CN(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C20H17N3O4/c1-26-20(25)18-13-22(16-5-2-3-6-17(16)27-18)19(24)14-7-9-15(10-8-14)23-12-4-11-21-23/h2-12,18H,13H2,1H3