2-[3-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-ynoxy]isoindole-1,3-dione

Systemtic Name: 2-[3-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-ynoxy]isoindole-1,3-dione Openeye Name: 2-[3-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)prop-2-ynoxy]isoindoline-1,3-dione CAS Name: 2-[3-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]prop-2-ynoxy]isoindole-1,3-dione IUPAC Name: 2-[3-(1-benzyl-3,5-dimethylpyrazol-4-yl)prop-2-ynoxy]isoindole-1,3-dione Traditional Name: 2-[3-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)prop-2-ynoxy]isoindoline-1,3-quinone Formula: C23H19N3O3 MolecularWeight: 385.41526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C#CCON3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C#CCON3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H19N3O3/c1-16-19(17(2)25(24-16)15-18-9-4-3-5-10-18)13-8-14-29-26-22(27)20-11-6-7-12-21(20)23(26)28/h3-7,9-12H,14-15H2,1-2H3