3-(5-methyl-1-benzothiophen-3-yl)-1-[(2R,3R)-3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one

Systemtic Name: 3-(5-methyl-1-benzothiophen-3-yl)-1-[(2R,3R)-3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one Openeye Name: 3-(5-methylbenzothiophen-3-yl)-1-[(2R,3R)-3-phenyl-2-(pyrrolidin-1-ylmethyl)-1-piperidyl]propan-1-one CAS Name: 3-(5-methyl-1-benzothiophen-3-yl)-1-[(2R,3R)-3-phenyl-2-(1-pyrrolidinylmethyl)-1-piperidinyl]-1-propanone IUPAC Name: 3-(5-methyl-1-benzothiophen-3-yl)-1-[(2R,3R)-3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one Traditional Name: 3-(5-methylbenzothiophen-3-yl)-1-[(2R,3R)-3-phenyl-2-(pyrrolidinomethyl)piperidino]propan-1-one Formula: C28H34N2OS MolecularWeight: 446.64736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC=C2CCC(=O)N3CCCC(C3CN4CCCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)SC=C2CCC(=O)N3CCC[C@@H]([C@@H]3CN4CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C28H34N2OS/c1-21-11-13-27-25(18-21)23(20-32-27)12-14-28(31)30-17-7-10-24(22-8-3-2-4-9-22)26(30)19-29-15-5-6-16-29/h2-4,8-9,11,13,18,20,24,26H,5-7,10,12,14-17,19H2,1H3/t24-,26+/m1/s1