5-isocyanato-1,3-dimethyl-4-(phenylmethyl)pyrazole

Systemtic Name: 5-isocyanato-1,3-dimethyl-4-(phenylmethyl)pyrazole Openeye Name: 4-benzyl-5-isocyanato-1,3-dimethyl-pyrazole CAS Name: 5-isocyanato-1,3-dimethyl-4-(phenylmethyl)pyrazole IUPAC Name: 4-benzyl-5-isocyanato-1,3-dimethylpyrazole Traditional Name: 4-benzyl-5-isocyanato-1,3-dimethyl-pyrazole Formula: C13H13N3O MolecularWeight: 227.26182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CC2=CC=CC=C2)N=C=O)C

Isomeric SMILES

CC1=NN(C(=C1CC2=CC=CC=C2)N=C=O)C

InChI

InChI=1S/C13H13N3O/c1-10-12(8-11-6-4-3-5-7-11)13(14-9-17)16(2)15-10/h3-7H,8H2,1-2H3