5-isocyanato-1,3-dimethyl-4-phenethyl-pyrazole

Systemtic Name: 5-isocyanato-1,3-dimethyl-4-phenethyl-pyrazole Openeye Name: 5-isocyanato-1,3-dimethyl-4-phenethyl-pyrazole CAS Name: 5-isocyanato-1,3-dimethyl-4-phenethylpyrazole IUPAC Name: 5-isocyanato-1,3-dimethyl-4-phenethylpyrazole Traditional Name: 5-isocyanato-1,3-dimethyl-4-phenethyl-pyrazole Formula: C14H15N3O MolecularWeight: 241.2884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CCC2=CC=CC=C2)N=C=O)C

Isomeric SMILES

CC1=NN(C(=C1CCC2=CC=CC=C2)N=C=O)C

InChI

InChI=1S/C14H15N3O/c1-11-13(14(15-10-18)17(2)16-11)9-8-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3