2-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)-N-ethyl-4-(4-fluorophenyl)-3-(3-methylphenyl)carbonyl-5-piperazin-1-ylcarbonyl-pyrrolidine-1-carboxamide

Systemtic Name: 2-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)-N-ethyl-4-(4-fluorophenyl)-3-(3-methylphenyl)carbonyl-5-piperazin-1-ylcarbonyl-pyrrolidine-1-carboxamide Openeye Name: 2-(5-chloro-1,3-dimethyl-pyrazol-4-yl)-N-ethyl-4-(4-fluorophenyl)-3-(3-methylbenzoyl)-5-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide CAS Name: 2-(5-chloro-1,3-dimethyl-4-pyrazolyl)-N-ethyl-4-(4-fluorophenyl)-3-[(3-methylphenyl)-oxomethyl]-5-[oxo(1-piperazinyl)methyl]-1-pyrrolidinecarboxamide IUPAC Name: 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-4-(4-fluorophenyl)-3-(3-methylbenzoyl)-5-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide Traditional Name: 2-(5-chloro-1,3-dimethyl-pyrazol-4-yl)-N-ethyl-4-(4-fluorophenyl)-3-m-toluoyl-5-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide Formula: C31H36ClFN6O3 MolecularWeight: 595.107343

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1C(C(C(C1C(=O)N2CCNCC2)C3=CC=C(C=C3)F)C(=O)C4=CC(=CC=C4)C)C5=C(N(N=C5C)C)Cl

Isomeric SMILES

CCNC(=O)N1C(C(C(C1C(=O)N2CCNCC2)C3=CC=C(C=C3)F)C(=O)C4=CC(=CC=C4)C)C5=C(N(N=C5C)C)Cl

InChI

InChI=1S/C31H36ClFN6O3/c1-5-35-31(42)39-26(23-19(3)36-37(4)29(23)32)25(28(40)21-8-6-7-18(2)17-21)24(20-9-11-22(33)12-10-20)27(39)30(41)38-15-13-34-14-16-38/h6-12,17,24-27,34H,5,13-16H2,1-4H3,(H,35,42)