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

Systemtic Name: 2-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)-4-(4-fluorophenyl)-3-(3-methylphenyl)carbonyl-N-phenyl-5-piperazin-1-ylcarbonyl-pyrrolidine-1-carboxamide Openeye Name: 2-(5-chloro-1,3-dimethyl-pyrazol-4-yl)-4-(4-fluorophenyl)-3-(3-methylbenzoyl)-N-phenyl-5-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide CAS Name: 2-(5-chloro-1,3-dimethyl-4-pyrazolyl)-4-(4-fluorophenyl)-3-[(3-methylphenyl)-oxomethyl]-5-[oxo(1-piperazinyl)methyl]-N-phenyl-1-pyrrolidinecarboxamide IUPAC Name: 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(4-fluorophenyl)-3-(3-methylbenzoyl)-N-phenyl-5-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide Traditional Name: 2-(5-chloro-1,3-dimethyl-pyrazol-4-yl)-4-(4-fluorophenyl)-3-m-toluoyl-N-phenyl-5-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide Formula: C35H36ClFN6O3 MolecularWeight: 643.150143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C2C(C(N(C2C3=C(N(N=C3C)C)Cl)C(=O)NC4=CC=CC=C4)C(=O)N5CCNCC5)C6=CC=C(C=C6)F

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)C2C(C(N(C2C3=C(N(N=C3C)C)Cl)C(=O)NC4=CC=CC=C4)C(=O)N5CCNCC5)C6=CC=C(C=C6)F

InChI

InChI=1S/C35H36ClFN6O3/c1-21-8-7-9-24(20-21)32(44)29-28(23-12-14-25(37)15-13-23)31(34(45)42-18-16-38-17-19-42)43(35(46)39-26-10-5-4-6-11-26)30(29)27-22(2)40-41(3)33(27)36/h4-15,20,28-31,38H,16-19H2,1-3H3,(H,39,46)