(E)-1-(1,3-benzodioxol-5-yl)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)prop-2-en-1-one

Systemtic Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-en-1-one CAS Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-en-1-one Formula: C18H19ClN2O3 MolecularWeight: 346.80806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=CC(=O)C2=CC3=C(C=C2)OCO3)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)C2=CC3=C(C=C2)OCO3)Cl

InChI

InChI=1S/C18H19ClN2O3/c1-3-4-9-21-18(19)14(12(2)20-21)6-7-15(22)13-5-8-16-17(10-13)24-11-23-16/h5-8,10H,3-4,9,11H2,1-2H3/b7-6+