N-[2-(4-methylphenyl)-2-pyrrolidin-1-yl-ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

Systemtic Name: N-[2-(4-methylphenyl)-2-pyrrolidin-1-yl-ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide Openeye Name: N-[2-(p-tolyl)-2-pyrrolidin-1-yl-ethyl]-5-(2-thienyl)isoxazole-3-carboxamide CAS Name: N-[2-(4-methylphenyl)-2-(1-pyrrolidinyl)ethyl]-5-thiophen-2-yl-3-isoxazolecarboxamide IUPAC Name: N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide Traditional Name: N-[2-(p-tolyl)-2-pyrrolidino-ethyl]-5-(2-thienyl)isoxazole-3-carboxamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNC(=O)C2=NOC(=C2)C3=CC=CS3)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C(CNC(=O)C2=NOC(=C2)C3=CC=CS3)N4CCCC4

InChI

InChI=1S/C21H23N3O2S/c1-15-6-8-16(9-7-15)18(24-10-2-3-11-24)14-22-21(25)17-13-19(26-23-17)20-5-4-12-27-20/h4-9,12-13,18H,2-3,10-11,14H2,1H3,(H,22,25)