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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)C1=CN(N=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)CCC(=O)C1=CN(N=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

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