5-(hydroxymethyl)-2-methyl-4-[[[(2R)-4-phenylbutan-2-yl]amino]methylidene]pyridin-3-one

Systemtic Name: 5-(hydroxymethyl)-2-methyl-4-[[[(2R)-4-phenylbutan-2-yl]amino]methylidene]pyridin-3-one Openeye Name: 5-(hydroxymethyl)-2-methyl-4-[[[(1R)-1-methyl-3-phenyl-propyl]amino]methylene]pyridin-3-one CAS Name: 5-(hydroxymethyl)-2-methyl-4-[[[(2R)-4-phenylbutan-2-yl]amino]methylidene]-3-pyridinone IUPAC Name: 5-(hydroxymethyl)-2-methyl-4-[[[(2R)-4-phenylbutan-2-yl]amino]methylidene]pyridin-3-one Traditional Name: 2-methyl-5-methylol-4-[[[(1R)-1-methyl-3-phenyl-propyl]amino]methylene]pyridin-3-one Formula: C18H22N2O2 MolecularWeight: 298.37948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNC(C)CCC2=CC=CC=C2)C1=O)CO

Isomeric SMILES

CC1=NC=C(C(=CN[C@H](C)CCC2=CC=CC=C2)C1=O)CO

InChI

InChI=1S/C18H22N2O2/c1-13(8-9-15-6-4-3-5-7-15)19-11-17-16(12-21)10-20-14(2)18(17)22/h3-7,10-11,13,19,21H,8-9,12H2,1-2H3/t13-/m1/s1