1-methyl-5-[2-(3-methyl-4-oxidanyl-phenyl)ethynyl]-3-(piperidin-1-ylmethyl)pyrrolidin-2-one

Systemtic Name: 1-methyl-5-[2-(3-methyl-4-oxidanyl-phenyl)ethynyl]-3-(piperidin-1-ylmethyl)pyrrolidin-2-one Openeye Name: 5-[2-(4-hydroxy-3-methyl-phenyl)ethynyl]-1-methyl-3-(1-piperidylmethyl)pyrrolidin-2-one CAS Name: 5-[2-(4-hydroxy-3-methylphenyl)ethynyl]-1-methyl-3-(1-piperidinylmethyl)-2-pyrrolidinone IUPAC Name: 5-[2-(4-hydroxy-3-methylphenyl)ethynyl]-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one Traditional Name: 5-[2-(4-hydroxy-3-methyl-phenyl)ethynyl]-1-methyl-3-(piperidinomethyl)-2-pyrrolidone Formula: C20H26N2O2 MolecularWeight: 326.43264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CC2CC(C(=O)N2C)CN3CCCCC3)O

Isomeric SMILES

CC1=C(C=CC(=C1)C#CC2CC(C(=O)N2C)CN3CCCCC3)O

InChI

InChI=1S/C20H26N2O2/c1-15-12-16(7-9-19(15)23)6-8-18-13-17(20(24)21(18)2)14-22-10-4-3-5-11-22/h7,9,12,17-18,23H,3-5,10-11,13-14H2,1-2H3