[1-oxidanylidene-1-[(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)amino]butan-2-yl] 1,3-benzoxazole-5-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)amino]butan-2-yl] 1,3-benzoxazole-5-carboxylate Openeye Name: 1-[(3-oxo-2-phenyl-1H-pyrazol-5-yl)carbamoyl]propyl 1,3-benzoxazole-5-carboxylate CAS Name: 1,3-benzoxazole-5-carboxylic acid [1-oxo-1-[(3-oxo-2-phenyl-1H-pyrazol-5-yl)amino]butan-2-yl] ester IUPAC Name: [1-oxo-1-[(3-oxo-2-phenyl-1H-pyrazol-5-yl)amino]butan-2-yl] 1,3-benzoxazole-5-carboxylate Traditional Name: 1,3-benzoxazole-5-carboxylic acid 1-[(5-keto-1-phenyl-3-pyrazolin-3-yl)carbamoyl]propyl ester Formula: C21H18N4O5 MolecularWeight: 406.39142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=O)N(N1)C2=CC=CC=C2)OC(=O)C3=CC4=C(C=C3)OC=N4

Isomeric SMILES

CCC(C(=O)NC1=CC(=O)N(N1)C2=CC=CC=C2)OC(=O)C3=CC4=C(C=C3)OC=N4

InChI

InChI=1S/C21H18N4O5/c1-2-16(30-21(28)13-8-9-17-15(10-13)22-12-29-17)20(27)23-18-11-19(26)25(24-18)14-6-4-3-5-7-14/h3-12,16,24H,2H2,1H3,(H,23,27)