[4-[(2-pyrrol-1-ylphenyl)carbonylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [4-[(2-pyrrol-1-ylphenyl)carbonylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate Openeye Name: [4-[(2-pyrrol-1-ylbenzoyl)amino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-[[oxo-[2-(1-pyrrolyl)phenyl]methyl]amino]-1-pyrazolyl]methyl ester IUPAC Name: [4-[(2-pyrrol-1-ylbenzoyl)amino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-[(2-pyrrol-1-ylbenzoyl)amino]pyrazol-1-yl]methyl ester Formula: C20H22N4O3 MolecularWeight: 366.41368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C=C(C=N1)NC(=O)C2=CC=CC=C2N3C=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)OCN1C=C(C=N1)NC(=O)C2=CC=CC=C2N3C=CC=C3

InChI

InChI=1S/C20H22N4O3/c1-20(2,3)19(26)27-14-24-13-15(12-21-24)22-18(25)16-8-4-5-9-17(16)23-10-6-7-11-23/h4-13H,14H2,1-3H3,(H,22,25)