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

Systemtic Name: (3S)-1-(3-chloranyl-4-methyl-phenyl)-5-oxidanylidene-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide Openeye Name: (3S)-1-(3-chloro-4-methyl-phenyl)-5-oxo-N-(3-pyridylmethyl)pyrrolidine-3-carboxamide CAS Name: (3S)-1-(3-chloro-4-methylphenyl)-5-oxo-N-(3-pyridinylmethyl)-3-pyrrolidinecarboxamide IUPAC Name: (3S)-1-(3-chloro-4-methylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide Traditional Name: (3S)-1-(3-chloro-4-methyl-phenyl)-5-keto-N-(3-pyridylmethyl)pyrrolidine-3-carboxamide Formula: C18H18ClN3O2 MolecularWeight: 343.80742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NCC3=CN=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C[C@H](CC2=O)C(=O)NCC3=CN=CC=C3)Cl

InChI

InChI=1S/C18H18ClN3O2/c1-12-4-5-15(8-16(12)19)22-11-14(7-17(22)23)18(24)21-10-13-3-2-6-20-9-13/h2-6,8-9,14H,7,10-11H2,1H3,(H,21,24)/t14-/m0/s1