4-methyl-1-[1-(triphenylmethyl)pyrazol-3-yl]pentan-3-one

Systemtic Name: 4-methyl-1-[1-(triphenylmethyl)pyrazol-3-yl]pentan-3-one Openeye Name: 4-methyl-1-(1-tritylpyrazol-3-yl)pentan-3-one CAS Name: 4-methyl-1-[1-(triphenylmethyl)-3-pyrazolyl]-3-pentanone IUPAC Name: 4-methyl-1-(1-tritylpyrazol-3-yl)pentan-3-one Traditional Name: 4-methyl-1-(1-tritylpyrazol-3-yl)pentan-3-one Formula: C28H28N2O MolecularWeight: 408.53472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)CCC1=NN(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(=O)CCC1=NN(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H28N2O/c1-22(2)27(31)19-18-26-20-21-30(29-26)28(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-17,20-22H,18-19H2,1-2H3