3-methyl-1-[(3R,4R)-3-oxidanyl-4-(4-phenethylpiperazin-1-yl)piperidin-1-yl]but-2-en-1-one

Systemtic Name: 3-methyl-1-[(3R,4R)-3-oxidanyl-4-(4-phenethylpiperazin-1-yl)piperidin-1-yl]but-2-en-1-one Openeye Name: 1-[(3R,4R)-3-hydroxy-4-(4-phenethylpiperazin-1-yl)-1-piperidyl]-3-methyl-but-2-en-1-one CAS Name: 1-[(3R,4R)-3-hydroxy-4-(4-phenethyl-1-piperazinyl)-1-piperidinyl]-3-methyl-2-buten-1-one IUPAC Name: 1-[(3R,4R)-3-hydroxy-4-(4-phenethylpiperazin-1-yl)piperidin-1-yl]-3-methylbut-2-en-1-one Traditional Name: 1-[(3R,4R)-3-hydroxy-4-(4-phenethylpiperazino)piperidino]-3-methyl-but-2-en-1-one Formula: C22H33N3O2 MolecularWeight: 371.51632

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N1CCC(C(C1)O)N2CCN(CC2)CCC3=CC=CC=C3)C

Isomeric SMILES

CC(=CC(=O)N1CC[C@H]([C@@H](C1)O)N2CCN(CC2)CCC3=CC=CC=C3)C

InChI

InChI=1S/C22H33N3O2/c1-18(2)16-22(27)25-11-9-20(21(26)17-25)24-14-12-23(13-15-24)10-8-19-6-4-3-5-7-19/h3-7,16,20-21,26H,8-15,17H2,1-2H3/t20-,21-/m1/s1