(3E)-3-[(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)methylidene]chromen-4-one

Systemtic Name: (3E)-3-[(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)methylidene]chromen-4-one Openeye Name: (3E)-3-[(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)methylene]chroman-4-one CAS Name: (3E)-3-[(1-butyl-5-chloro-3-methyl-4-pyrazolyl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (3E)-3-[(1-butyl-5-chloro-3-methylpyrazol-4-yl)methylidene]chromen-4-one Traditional Name: (3E)-3-[(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)methylene]chroman-4-one Formula: C18H19ClN2O2 MolecularWeight: 330.80866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=C2COC3=CC=CC=C3C2=O)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/2\COC3=CC=CC=C3C2=O)Cl

InChI

InChI=1S/C18H19ClN2O2/c1-3-4-9-21-18(19)15(12(2)20-21)10-13-11-23-16-8-6-5-7-14(16)17(13)22/h5-8,10H,3-4,9,11H2,1-2H3/b13-10+