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

Systemtic Name: methyl 3-[4-aminocarbonyl-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrol-2-yl]propanoate Openeye Name: methyl 3-[4-carbamoyl-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-5-methyl-1-(3-morpholinopropyl)pyrrol-2-yl]propanoate CAS Name: 3-[4-carbamoyl-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-5-methyl-1-[3-(4-morpholinyl)propyl]-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-carbamoyl-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrol-2-yl]propanoate Traditional Name: 3-[4-carbamoyl-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-5-methyl-1-(3-morpholinopropyl)pyrrol-2-yl]propionic acid methyl ester Formula: C28H37N5O5 MolecularWeight: 523.62388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=C(N(C(=C3C(=O)N)C)CCCN4CCOCC4)CCC(=O)OC

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=C(N(C(=C3C(=O)N)C)CCCN4CCOCC4)CCC(=O)OC

InChI

InChI=1S/C28H37N5O5/c1-19-25(28(36)33(30(19)3)21-9-6-5-7-10-21)26-22(11-12-23(34)37-4)32(20(2)24(26)27(29)35)14-8-13-31-15-17-38-18-16-31/h5-7,9-10H,8,11-18H2,1-4H3,(H2,29,35)