[1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-1-oxidanylidene-butan-2-yl] 4-(1H-imidazol-2-yl)benzoate

Systemtic Name: [1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-1-oxidanylidene-butan-2-yl] 4-(1H-imidazol-2-yl)benzoate Openeye Name: 1-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamoyl]propyl 4-(1H-imidazol-2-yl)benzoate CAS Name: 4-(1H-imidazol-2-yl)benzoic acid [1-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxobutan-2-yl] 4-(1H-imidazol-2-yl)benzoate Traditional Name: 4-(1H-imidazol-2-yl)benzoic acid 1-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)carbamoyl]propyl ester Formula: C25H25N5O4 MolecularWeight: 459.4971

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C)OC(=O)C3=CC=C(C=C3)C4=NC=CN4

Isomeric SMILES

CCC(C(=O)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C)OC(=O)C3=CC=C(C=C3)C4=NC=CN4

InChI

InChI=1S/C25H25N5O4/c1-4-20(34-25(33)18-12-10-17(11-13-18)22-26-14-15-27-22)23(31)28-21-16(2)29(3)30(24(21)32)19-8-6-5-7-9-19/h5-15,20H,4H2,1-3H3,(H,26,27)(H,28,31)