methyl 2-(4-cyanophenyl)-1-[(4-fluorophenyl)carbamoyl]-5-piperazin-1-ylcarbonyl-pyrrolidine-3-carboxylate

Systemtic Name: methyl 2-(4-cyanophenyl)-1-[(4-fluorophenyl)carbamoyl]-5-piperazin-1-ylcarbonyl-pyrrolidine-3-carboxylate Openeye Name: methyl 2-(4-cyanophenyl)-1-[(4-fluorophenyl)carbamoyl]-5-(piperazine-1-carbonyl)pyrrolidine-3-carboxylate CAS Name: 2-(4-cyanophenyl)-1-[(4-fluoroanilino)-oxomethyl]-5-[oxo(1-piperazinyl)methyl]-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-cyanophenyl)-1-[(4-fluorophenyl)carbamoyl]-5-(piperazine-1-carbonyl)pyrrolidine-3-carboxylate Traditional Name: 2-(4-cyanophenyl)-1-[(4-fluorophenyl)carbamoyl]-5-(piperazine-1-carbonyl)pyrrolidine-3-carboxylic acid methyl ester Formula: C25H26FN5O4 MolecularWeight: 479.503443

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(N(C1C2=CC=C(C=C2)C#N)C(=O)NC3=CC=C(C=C3)F)C(=O)N4CCNCC4

Isomeric SMILES

COC(=O)C1CC(N(C1C2=CC=C(C=C2)C#N)C(=O)NC3=CC=C(C=C3)F)C(=O)N4CCNCC4

InChI

InChI=1S/C25H26FN5O4/c1-35-24(33)20-14-21(23(32)30-12-10-28-11-13-30)31(22(20)17-4-2-16(15-27)3-5-17)25(34)29-19-8-6-18(26)7-9-19/h2-9,20-22,28H,10-14H2,1H3,(H,29,34)