(3S)-N-(3-chloranylpropyl)-1-(3,4-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3S)-N-(3-chloranylpropyl)-1-(3,4-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-N-(3-chloropropyl)-1-(3,4-dimethylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-N-(3-chloropropyl)-1-(3,4-dimethylphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-N-(3-chloropropyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-N-(3-chloropropyl)-1-(3,4-dimethylphenyl)-5-keto-pyrrolidine-3-carboxamide Formula: C16H21ClN2O2 MolecularWeight: 308.80314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NCCCCl)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C[C@H](CC2=O)C(=O)NCCCCl)C

InChI

InChI=1S/C16H21ClN2O2/c1-11-4-5-14(8-12(11)2)19-10-13(9-15(19)20)16(21)18-7-3-6-17/h4-5,8,13H,3,6-7,9-10H2,1-2H3,(H,18,21)/t13-/m0/s1