methyl 3-[4-aminocarbonyl-1-butyl-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-5-methyl-pyrrol-2-yl]propanoate

Systemtic Name: methyl 3-[4-aminocarbonyl-1-butyl-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-5-methyl-pyrrol-2-yl]propanoate Openeye Name: methyl 3-[1-butyl-4-carbamoyl-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-5-methyl-pyrrol-2-yl]propanoate CAS Name: 3-[1-butyl-4-carbamoyl-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-5-methyl-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-butyl-4-carbamoyl-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methylpyrrol-2-yl]propanoate Traditional Name: 3-[1-butyl-4-carbamoyl-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-5-methyl-pyrrol-2-yl]propionic acid methyl ester Formula: C25H32N4O4 MolecularWeight: 452.54598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=C1CCC(=O)OC)C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(=O)N)C

Isomeric SMILES

CCCCN1C(=C(C(=C1CCC(=O)OC)C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(=O)N)C

InChI

InChI=1S/C25H32N4O4/c1-6-7-15-28-17(3)21(24(26)31)23(19(28)13-14-20(30)33-5)22-16(2)27(4)29(25(22)32)18-11-9-8-10-12-18/h8-12H,6-7,13-15H2,1-5H3,(H2,26,31)