(3S)-1-butyl-N-[4-[(3-chloranyl-4-cyano-phenyl)carbamoyl]phenyl]-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3S)-1-butyl-N-[4-[(3-chloranyl-4-cyano-phenyl)carbamoyl]phenyl]-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-1-butyl-N-[4-[(3-chloro-4-cyano-phenyl)carbamoyl]phenyl]-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-1-butyl-N-[4-[(3-chloro-4-cyanoanilino)-oxomethyl]phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-1-butyl-N-[4-[(3-chloro-4-cyanophenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-1-butyl-N-[4-[(3-chloro-4-cyano-phenyl)carbamoyl]phenyl]-5-keto-pyrrolidine-3-carboxamide Formula: C23H23ClN4O3 MolecularWeight: 438.90672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC(CC1=O)C(=O)NC2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

CCCCN1C[C@H](CC1=O)C(=O)NC2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C23H23ClN4O3/c1-2-3-10-28-14-17(11-21(28)29)23(31)26-18-7-4-15(5-8-18)22(30)27-19-9-6-16(13-25)20(24)12-19/h4-9,12,17H,2-3,10-11,14H2,1H3,(H,26,31)(H,27,30)/t17-/m0/s1