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

Systemtic Name: (2E)-2-[[3-(2-methylpropyl)-1-phenyl-pyrazol-4-yl]methylidene]-3H-inden-1-one Openeye Name: (2E)-2-[(3-isobutyl-1-phenyl-pyrazol-4-yl)methylene]indan-1-one CAS Name: (2E)-2-[[3-(2-methylpropyl)-1-phenyl-4-pyrazolyl]methylidene]-3H-inden-1-one IUPAC Name: (2E)-2-[[3-(2-methylpropyl)-1-phenylpyrazol-4-yl]methylidene]-3H-inden-1-one Traditional Name: (2E)-2-[(3-isobutyl-1-phenyl-pyrazol-4-yl)methylene]indan-1-one Formula: C23H22N2O MolecularWeight: 342.43358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN(C=C1C=C2CC3=CC=CC=C3C2=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)CC1=NN(C=C1/C=C/2\CC3=CC=CC=C3C2=O)C4=CC=CC=C4

InChI

InChI=1S/C23H22N2O/c1-16(2)12-22-19(15-25(24-22)20-9-4-3-5-10-20)14-18-13-17-8-6-7-11-21(17)23(18)26/h3-11,14-16H,12-13H2,1-2H3/b18-14+