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

Systemtic Name: 5-isocyanato-1,3-dimethyl-4-(4-phenylbutyl)pyrazole Openeye Name: 5-isocyanato-1,3-dimethyl-4-(4-phenylbutyl)pyrazole CAS Name: 5-isocyanato-1,3-dimethyl-4-(4-phenylbutyl)pyrazole IUPAC Name: 5-isocyanato-1,3-dimethyl-4-(4-phenylbutyl)pyrazole Traditional Name: 5-isocyanato-1,3-dimethyl-4-(4-phenylbutyl)pyrazole Formula: C16H19N3O MolecularWeight: 269.34156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CCCCC2=CC=CC=C2)N=C=O)C

Isomeric SMILES

CC1=NN(C(=C1CCCCC2=CC=CC=C2)N=C=O)C

InChI

InChI=1S/C16H19N3O/c1-13-15(16(17-12-20)19(2)18-13)11-7-6-10-14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-11H2,1-2H3