4-bromanyl-1-cyclobutyl-3-(4-methoxyphenyl)-5-(phenoxymethyl)pyrazole

Systemtic Name: 4-bromanyl-1-cyclobutyl-3-(4-methoxyphenyl)-5-(phenoxymethyl)pyrazole Openeye Name: 4-bromo-1-cyclobutyl-3-(4-methoxyphenyl)-5-(phenoxymethyl)pyrazole CAS Name: 4-bromo-1-cyclobutyl-3-(4-methoxyphenyl)-5-(phenoxymethyl)pyrazole IUPAC Name: 4-bromo-1-cyclobutyl-3-(4-methoxyphenyl)-5-(phenoxymethyl)pyrazole Traditional Name: 4-bromo-1-cyclobutyl-3-(4-methoxyphenyl)-5-(phenoxymethyl)pyrazole Formula: C21H21BrN2O2 MolecularWeight: 413.30764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=C2Br)COC3=CC=CC=C3)C4CCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=C2Br)COC3=CC=CC=C3)C4CCC4

InChI

InChI=1S/C21H21BrN2O2/c1-25-17-12-10-15(11-13-17)21-20(22)19(24(23-21)16-6-5-7-16)14-26-18-8-3-2-4-9-18/h2-4,8-13,16H,5-7,14H2,1H3