(3S,5R)-1-methyl-5-[2-(3-methylphenyl)ethynyl]-3-(piperidin-1-ylmethyl)pyrrolidin-2-one

Systemtic Name: (3S,5R)-1-methyl-5-[2-(3-methylphenyl)ethynyl]-3-(piperidin-1-ylmethyl)pyrrolidin-2-one Openeye Name: (3S,5R)-1-methyl-5-[2-(m-tolyl)ethynyl]-3-(1-piperidylmethyl)pyrrolidin-2-one CAS Name: (3S,5R)-1-methyl-5-[2-(3-methylphenyl)ethynyl]-3-(1-piperidinylmethyl)-2-pyrrolidinone IUPAC Name: (3S,5R)-1-methyl-5-[2-(3-methylphenyl)ethynyl]-3-(piperidin-1-ylmethyl)pyrrolidin-2-one Traditional Name: (3S,5R)-1-methyl-5-[2-(m-tolyl)ethynyl]-3-(piperidinomethyl)-2-pyrrolidone Formula: C20H26N2O MolecularWeight: 310.43324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=CC(=C1)C#C[C@H]2C[C@H](C(=O)N2C)CN3CCCCC3

InChI

InChI=1S/C20H26N2O/c1-16-7-6-8-17(13-16)9-10-19-14-18(20(23)21(19)2)15-22-11-4-3-5-12-22/h6-8,13,18-19H,3-5,11-12,14-15H2,1-2H3/t18-,19-/m0/s1