1-[4-ethanoyl-2-[[(3S)-3-oxidanylpyrrolidin-1-yl]methyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone

Systemtic Name: 1-[4-ethanoyl-2-[[(3S)-3-oxidanylpyrrolidin-1-yl]methyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone Openeye Name: 1-[4-acetyl-2-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone CAS Name: 1-[4-acetyl-2-[[(3S)-3-hydroxy-1-pyrrolidinyl]methyl]-1-piperazinyl]-2-(3-methoxyphenyl)ethanone IUPAC Name: 1-[4-acetyl-2-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone Traditional Name: 1-[4-acetyl-2-[[(3S)-3-hydroxypyrrolidino]methyl]piperazino]-2-(3-methoxyphenyl)ethanone Formula: C20H29N3O4 MolecularWeight: 375.46196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(C(C1)CN2CCC(C2)O)C(=O)CC3=CC(=CC=C3)OC

Isomeric SMILES

CC(=O)N1CCN(C(C1)CN2CC[C@@H](C2)O)C(=O)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C20H29N3O4/c1-15(24)22-8-9-23(17(13-22)12-21-7-6-18(25)14-21)20(26)11-16-4-3-5-19(10-16)27-2/h3-5,10,17-18,25H,6-9,11-14H2,1-2H3/t17?,18-/m0/s1