4-[4-(2-tert-butyl-4-methyl-phenoxy)butyl]-3,5-dimethyl-1H-pyrazole hydrochloride

Systemtic Name: 4-[4-(2-tert-butyl-4-methyl-phenoxy)butyl]-3,5-dimethyl-1H-pyrazole hydrochloride Openeye Name: 4-[4-(2-tert-butyl-4-methyl-phenoxy)butyl]-3,5-dimethyl-1H-pyrazole hydrochloride CAS Name: 4-[4-(2-tert-butyl-4-methylphenoxy)butyl]-3,5-dimethyl-1H-pyrazole hydrochloride IUPAC Name: 4-[4-(2-tert-butyl-4-methylphenoxy)butyl]-3,5-dimethyl-1H-pyrazole hydrochloride Traditional Name: 4-[4-(2-tert-butyl-4-methyl-phenoxy)butyl]-3,5-dimethyl-1H-pyrazole hydrochloride Formula: C20H31ClN2O MolecularWeight: 350.92594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCCC2=C(NN=C2C)C)C(C)(C)C.Cl

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCCC2=C(NN=C2C)C)C(C)(C)C.Cl

InChI

InChI=1S/C20H30N2O.ClH/c1-14-10-11-19(18(13-14)20(4,5)6)23-12-8-7-9-17-15(2)21-22-16(17)3;/h10-11,13H,7-9,12H2,1-6H3,(H,21,22);1H