2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]pyridine-3-carboxamide

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]pyridine-3-carboxamide Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]pyridine-3-carboxamide CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-N-[2-(3-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-3-pyridinecarboxamide IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]-N-[2-(3-methoxyphenyl)-2-pyrrolidino-ethyl]nicotinamide Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)NCC(C3=CC(=CC=C3)OC)N4CCCC4

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)NCC(C3=CC(=CC=C3)OC)N4CCCC4

InChI

InChI=1S/C25H30N4O3S/c1-17-22(18(2)32-28-17)16-33-25-21(10-7-11-26-25)24(30)27-15-23(29-12-4-5-13-29)19-8-6-9-20(14-19)31-3/h6-11,14,23H,4-5,12-13,15-16H2,1-3H3,(H,27,30)