(6Z)-3-decoxy-6-[[(5-methyl-1H-pyrazol-3-yl)amino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: (6Z)-3-decoxy-6-[[(5-methyl-1H-pyrazol-3-yl)amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-3-decoxy-6-[[(5-methyl-1H-pyrazol-3-yl)amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: (6Z)-3-decoxy-6-[[(5-methyl-1H-pyrazol-3-yl)amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-3-decoxy-6-[[(5-methyl-1H-pyrazol-3-yl)amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6Z)-3-decoxy-6-[[(5-methyl-1H-pyrazol-3-yl)amino]methylene]cyclohexa-2,4-dien-1-one Formula: C21H31N3O2 MolecularWeight: 357.48974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC(=O)C(=CNC2=NNC(=C2)C)C=C1

Isomeric SMILES

CCCCCCCCCCOC1=CC(=O)/C(=C\NC2=NNC(=C2)C)/C=C1

InChI

InChI=1S/C21H31N3O2/c1-3-4-5-6-7-8-9-10-13-26-19-12-11-18(20(25)15-19)16-22-21-14-17(2)23-24-21/h11-12,14-16H,3-10,13H2,1-2H3,(H2,22,23,24)/b18-16-