2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(1-phenylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(1-phenylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-N-[(1-phenylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-N-[(1-phenyl-3-pyrrolidinyl)methyl]-3-pyridinecarboxamide IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(1-phenylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]-N-[(1-phenylpyrrolidin-3-yl)methyl]nicotinamide Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)NCC3CCN(C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)NCC3CCN(C3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2S/c1-16-21(17(2)29-26-16)15-30-23-20(9-6-11-24-23)22(28)25-13-18-10-12-27(14-18)19-7-4-3-5-8-19/h3-9,11,18H,10,12-15H2,1-2H3,(H,25,28)