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

Systemtic Name: 5-isocyanato-1,3-dimethyl-4-(3-phenylpropyl)pyrazole Openeye Name: 5-isocyanato-1,3-dimethyl-4-(3-phenylpropyl)pyrazole CAS Name: 5-isocyanato-1,3-dimethyl-4-(3-phenylpropyl)pyrazole IUPAC Name: 5-isocyanato-1,3-dimethyl-4-(3-phenylpropyl)pyrazole Traditional Name: 5-isocyanato-1,3-dimethyl-4-(3-phenylpropyl)pyrazole Formula: C15H17N3O MolecularWeight: 255.31498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CCCC2=CC=CC=C2)N=C=O)C

Isomeric SMILES

CC1=NN(C(=C1CCCC2=CC=CC=C2)N=C=O)C

InChI

InChI=1S/C15H17N3O/c1-12-14(15(16-11-19)18(2)17-12)10-6-9-13-7-4-3-5-8-13/h3-5,7-8H,6,9-10H2,1-2H3