3-(4-acetamidophenyl)-5-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)-1-cyclobutylcarbonyl-4-(2,5-dimethylthiophen-3-yl)carbonyl-pyrrolidine-2-carboxamide

Systemtic Name: 3-(4-acetamidophenyl)-5-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)-1-cyclobutylcarbonyl-4-(2,5-dimethylthiophen-3-yl)carbonyl-pyrrolidine-2-carboxamide Openeye Name: 3-(4-acetamidophenyl)-5-(5-chloro-1,3-dimethyl-pyrazol-4-yl)-1-(cyclobutanecarbonyl)-4-(2,5-dimethylthiophene-3-carbonyl)pyrrolidine-2-carboxamide CAS Name: 3-(4-acetamidophenyl)-5-(5-chloro-1,3-dimethyl-4-pyrazolyl)-1-[cyclobutyl(oxo)methyl]-4-[(2,5-dimethyl-3-thiophenyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: 3-(4-acetamidophenyl)-5-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(cyclobutanecarbonyl)-4-(2,5-dimethylthiophene-3-carbonyl)pyrrolidine-2-carboxamide Traditional Name: 3-(4-acetamidophenyl)-5-(5-chloro-1,3-dimethyl-pyrazol-4-yl)-1-(cyclobutanecarbonyl)-4-(2,5-dimethylthiophene-3-carbonyl)pyrrolidine-2-carboxamide Formula: C30H34ClN5O4S MolecularWeight: 596.14006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)C2C(C(N(C2C3=C(N(N=C3C)C)Cl)C(=O)C4CCC4)C(=O)N)C5=CC=C(C=C5)NC(=O)C

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)C2C(C(N(C2C3=C(N(N=C3C)C)Cl)C(=O)C4CCC4)C(=O)N)C5=CC=C(C=C5)NC(=O)C

InChI

InChI=1S/C30H34ClN5O4S/c1-14-13-21(16(3)41-14)27(38)24-23(18-9-11-20(12-10-18)33-17(4)37)26(29(32)39)36(30(40)19-7-6-8-19)25(24)22-15(2)34-35(5)28(22)31/h9-13,19,23-26H,6-8H2,1-5H3,(H2,32,39)(H,33,37)