(3E)-3-[[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylidene]chromen-4-one

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C2COC3=CC=CC=C3C2=O)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/2\COC3=CC=CC=C3C2=O)Cl)CC(C)C

InChI

InChI=1S/C18H19ClN2O2/c1-11(2)9-21-18(19)15(12(3)20-21)8-13-10-23-16-7-5-4-6-14(16)17(13)22/h4-8,11H,9-10H2,1-3H3/b13-8+