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

Systemtic Name: (2E)-2-[[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylidene]-3H-inden-1-one Openeye Name: (2E)-2-[(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)methylene]indan-1-one CAS Name: (2E)-2-[[5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolyl]methylidene]-3H-inden-1-one IUPAC Name: (2E)-2-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylidene]-3H-inden-1-one Traditional Name: (2E)-2-[(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)methylene]indan-1-one Formula: C18H19ClN2O MolecularWeight: 314.80926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C2CC3=CC=CC=C3C2=O)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/2\CC3=CC=CC=C3C2=O)Cl)CC(C)C

InChI

InChI=1S/C18H19ClN2O/c1-11(2)10-21-18(19)16(12(3)20-21)9-14-8-13-6-4-5-7-15(13)17(14)22/h4-7,9,11H,8,10H2,1-3H3/b14-9+