(E)-4-methyl-1-[(3R,4R)-4-(4-methylpiperazin-1-yl)-3-oxidanyl-piperidin-1-yl]pent-2-en-1-one

Systemtic Name: (E)-4-methyl-1-[(3R,4R)-4-(4-methylpiperazin-1-yl)-3-oxidanyl-piperidin-1-yl]pent-2-en-1-one Openeye Name: (E)-1-[(3R,4R)-3-hydroxy-4-(4-methylpiperazin-1-yl)-1-piperidyl]-4-methyl-pent-2-en-1-one CAS Name: (E)-1-[(3R,4R)-3-hydroxy-4-(4-methyl-1-piperazinyl)-1-piperidinyl]-4-methyl-2-penten-1-one IUPAC Name: (E)-1-[(3R,4R)-3-hydroxy-4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-methylpent-2-en-1-one Traditional Name: (E)-1-[(3R,4R)-3-hydroxy-4-(4-methylpiperazino)piperidino]-4-methyl-pent-2-en-1-one Formula: C16H29N3O2 MolecularWeight: 295.42036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H29N3O2/c1-13(2)4-5-16(21)19-7-6-14(15(20)12-19)18-10-8-17(3)9-11-18/h4-5,13-15,20H,6-12H2,1-3H3/b5-4+/t14-,15-/m1/s1