5-(hydroxymethyl)-2-methyl-4-[[[(2S)-2-phenylbutyl]amino]methylidene]pyridin-3-one

Systemtic Name: 5-(hydroxymethyl)-2-methyl-4-[[[(2S)-2-phenylbutyl]amino]methylidene]pyridin-3-one Openeye Name: 5-(hydroxymethyl)-2-methyl-4-[[[(2S)-2-phenylbutyl]amino]methylene]pyridin-3-one CAS Name: 5-(hydroxymethyl)-2-methyl-4-[[[(2S)-2-phenylbutyl]amino]methylidene]-3-pyridinone IUPAC Name: 5-(hydroxymethyl)-2-methyl-4-[[[(2S)-2-phenylbutyl]amino]methylidene]pyridin-3-one Traditional Name: 2-methyl-5-methylol-4-[[[(2S)-2-phenylbutyl]amino]methylene]pyridin-3-one Formula: C18H22N2O2 MolecularWeight: 298.37948

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC=C1C(=CN=C(C1=O)C)CO)C2=CC=CC=C2

Isomeric SMILES

CC[C@H](CNC=C1C(=CN=C(C1=O)C)CO)C2=CC=CC=C2

InChI

InChI=1S/C18H22N2O2/c1-3-14(15-7-5-4-6-8-15)9-19-11-17-16(12-21)10-20-13(2)18(17)22/h4-8,10-11,14,19,21H,3,9,12H2,1-2H3/t14-/m1/s1