6-[[[(1S,2S)-2-azanylcyclohexyl]amino]methylidene]-4-methoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[(1S,2S)-2-azanylcyclohexyl]amino]methylidene]-4-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[(1S,2S)-2-aminocyclohexyl]amino]methylene]-4-methoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[(1S,2S)-2-aminocyclohexyl]amino]methylidene]-4-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[(1S,2S)-2-aminocyclohexyl]amino]methylidene]-4-methoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[[(1S,2S)-2-aminocyclohexyl]amino]methylene]-4-methoxy-cyclohexa-2,4-dien-1-one Formula: C14H20N2O2 MolecularWeight: 248.3208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNC2CCCCC2N)C(=O)C=C1

Isomeric SMILES

COC1=CC(=CN[C@H]2CCCC[C@@H]2N)C(=O)C=C1

InChI

InChI=1S/C14H20N2O2/c1-18-11-6-7-14(17)10(8-11)9-16-13-5-3-2-4-12(13)15/h6-9,12-13,16H,2-5,15H2,1H3/t12-,13-/m0/s1