methyl 2-(4-cyanophenyl)-1-(3-methylbutanoyl)-5-piperazin-1-ylcarbonyl-pyrrolidine-3-carboxylate

Systemtic Name: methyl 2-(4-cyanophenyl)-1-(3-methylbutanoyl)-5-piperazin-1-ylcarbonyl-pyrrolidine-3-carboxylate Openeye Name: methyl 2-(4-cyanophenyl)-1-(3-methylbutanoyl)-5-(piperazine-1-carbonyl)pyrrolidine-3-carboxylate CAS Name: 2-(4-cyanophenyl)-1-(3-methyl-1-oxobutyl)-5-[oxo(1-piperazinyl)methyl]-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-cyanophenyl)-1-(3-methylbutanoyl)-5-(piperazine-1-carbonyl)pyrrolidine-3-carboxylate Traditional Name: 2-(4-cyanophenyl)-1-isovaleryl-5-(piperazine-1-carbonyl)pyrrolidine-3-carboxylic acid methyl ester Formula: C23H30N4O4 MolecularWeight: 426.5087

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1C(CC(C1C2=CC=C(C=C2)C#N)C(=O)OC)C(=O)N3CCNCC3

Isomeric SMILES

CC(C)CC(=O)N1C(CC(C1C2=CC=C(C=C2)C#N)C(=O)OC)C(=O)N3CCNCC3

InChI

InChI=1S/C23H30N4O4/c1-15(2)12-20(28)27-19(22(29)26-10-8-25-9-11-26)13-18(23(30)31-3)21(27)17-6-4-16(14-24)5-7-17/h4-7,15,18-19,21,25H,8-13H2,1-3H3