(3S)-N-(3-chloranyl-4-methyl-phenyl)-5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxamide

Systemtic Name: (3S)-N-(3-chloranyl-4-methyl-phenyl)-5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxamide Openeye Name: (3S)-N-(3-chloro-4-methyl-phenyl)-5-oxo-1-phenethyl-pyrrolidine-3-carboxamide CAS Name: (3S)-N-(3-chloro-4-methylphenyl)-5-oxo-1-phenethyl-3-pyrrolidinecarboxamide IUPAC Name: (3S)-N-(3-chloro-4-methylphenyl)-5-oxo-1-phenethylpyrrolidine-3-carboxamide Traditional Name: (3S)-N-(3-chloro-4-methyl-phenyl)-5-keto-1-phenethyl-pyrrolidine-3-carboxamide Formula: C20H21ClN2O2 MolecularWeight: 356.84594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CC(=O)N(C2)CCC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H]2CC(=O)N(C2)CCC3=CC=CC=C3)Cl

InChI

InChI=1S/C20H21ClN2O2/c1-14-7-8-17(12-18(14)21)22-20(25)16-11-19(24)23(13-16)10-9-15-5-3-2-4-6-15/h2-8,12,16H,9-11,13H2,1H3,(H,22,25)/t16-/m0/s1