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

Systemtic Name: 5-isocyanato-1,3-dimethyl-4-(5-phenylpentyl)pyrazole Openeye Name: 5-isocyanato-1,3-dimethyl-4-(5-phenylpentyl)pyrazole CAS Name: 5-isocyanato-1,3-dimethyl-4-(5-phenylpentyl)pyrazole IUPAC Name: 5-isocyanato-1,3-dimethyl-4-(5-phenylpentyl)pyrazole Traditional Name: 5-isocyanato-1,3-dimethyl-4-(5-phenylpentyl)pyrazole Formula: C17H21N3O MolecularWeight: 283.36814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CCCCCC2=CC=CC=C2)N=C=O)C

Isomeric SMILES

CC1=NN(C(=C1CCCCCC2=CC=CC=C2)N=C=O)C

InChI

InChI=1S/C17H21N3O/c1-14-16(17(18-13-21)20(2)19-14)12-8-4-7-11-15-9-5-3-6-10-15/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3