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

Systemtic Name: methyl 3-[4-aminocarbonyl-1-(cyclohexylmethyl)-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-5-methyl-pyrrol-2-yl]propanoate Openeye Name: methyl 3-[4-carbamoyl-1-(cyclohexylmethyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-5-methyl-pyrrol-2-yl]propanoate CAS Name: 3-[4-carbamoyl-1-(cyclohexylmethyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-5-methyl-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-carbamoyl-1-(cyclohexylmethyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methylpyrrol-2-yl]propanoate Traditional Name: 3-[4-carbamoyl-1-(cyclohexylmethyl)-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-5-methyl-pyrrol-2-yl]propionic acid methyl ester Formula: C28H36N4O4 MolecularWeight: 492.60984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=C(N(C(=C3C(=O)N)C)CC4CCCCC4)CCC(=O)OC

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=C(N(C(=C3C(=O)N)C)CC4CCCCC4)CCC(=O)OC

InChI

InChI=1S/C28H36N4O4/c1-18-25(28(35)32(30(18)3)21-13-9-6-10-14-21)26-22(15-16-23(33)36-4)31(19(2)24(26)27(29)34)17-20-11-7-5-8-12-20/h6,9-10,13-14,20H,5,7-8,11-12,15-17H2,1-4H3,(H2,29,34)